azetidin-1-yl-[4-[4-(1,3-benzothiazol-6-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]methanone;4-[4-(1,3-benzothiazol-6-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-N,N-diethyl-3,6-dihydro-2H-pyridine-1-carboxamide;[4-[4-(1,3-benzothiazol-6-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-(4-hydroxypiperidin-1-yl)methanone;[4-[4-(1,3-benzothiazol-6-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone;[4-[4-(1,3-benzothiazol-6-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone;[4-[4-(1,3-benzothiazol-6-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-piperidin-1-ylmethanone;[4-[4-(1,3-benzothiazol-6-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-pyrrolidin-1-ylmethanone

C162H165N49O10S7 — CID 157339488

IUPACazetidin-1-yl-[4-[4-(1,3-benzothiazol-6-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]methanone;4-[4-(1,3-benzothiazol-6-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-N,N-diethyl-3,6-dihydro-2H-pyridine-1-carboxamide;[4-[4-(1,3-benzothiazol-6-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-(4-hydroxypiperidin-1-yl)methanone;[4-[4-(1,3-benzothiazol-6-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone;[4-[4-(1,3-benzothiazol-6-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone;[4-[4-(1,3-benzothiazol-6-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-piperidin-1-ylmethanone;[4-[4-(1,3-benzothiazol-6-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-pyrrolidin-1-ylmethanone
SMILESCCN(CC)C(=O)N1CC=C(c2cc3c(Nc4ccc5ncsc5c4)ncnc3[nH]2)CC1.O=C(N1CC=C(c2cc3c(Nc4ccc5ncsc5c4)ncnc3[nH]2)CC1)N1CCC(O)CC1.O=C(N1CC=C(c2cc3c(Nc4ccc5ncsc5c4)ncnc3[nH]2)CC1)N1CCC1.O=C(N1CC=C(c2cc3c(Nc4ccc5ncsc5c4)ncnc3[nH]2)CC1)N1CCCC1.O=C(N1CC=C(c2cc3c(Nc4ccc5ncsc5c4)ncnc3[nH]2)CC1)N1CCCCC1.O=C(N1CC=C(c2cc3c(Nc4ccc5ncsc5c4)ncnc3[nH]2)CC1)N1CC[C@@H](O)C1.O=C(N1CC=C(c2cc3c(Nc4ccc5ncsc5c4)ncnc3[nH]2)CC1)N1CC[C@H](O)C1
InChIInChI=1S/C24H25N7O2S.C24H25N7OS.2C23H23N7O2S.C23H23N7OS.C23H25N7OS.C22H21N7OS/c32-17-5-9-31(10-6-17)24(33)30-7-3-15(4-8-30)20-12-18-22(25-13-26-23(18)29-20)28-16-1-2-19-21(11-16)34-14-27-19;32-24(30-8-2-1-3-9-30)31-10-6-16(7-11-31)20-13-18-22(25-14-26-23(18)29-20)28-17-4-5-19-21(12-17)33-15-27-19;2*31-16-5-8-30(11-16)23(32)29-6-3-14(4-7-29)19-10-17-21(24-12-25-22(17)28-19)27-15-1-2-18-20(9-15)33-13-26-18;31-23(29-7-1-2-8-29)30-9-5-15(6-10-30)19-12-17-21(24-13-25-22(17)28-19)27-16-3-4-18-20(11-16)32-14-26-18;1-3-29(4-2)23(31)30-9-7-15(8-10-30)19-12-17-21(24-13-25-22(17)28-19)27-16-5-6-18-20(11-16)32-14-26-18;30-22(28-6-1-7-28)29-8-4-14(5-9-29)18-11-16-20(23-12-24-21(16)27-18)26-15-2-3-17-19(10-15)31-13-25-17/h1-3,11-14,17,32H,4-10H2,(H2,25,26,28,29);4-6,12-15H,1-3,7-11H2,(H2,25,26,28,29);2*1-3,9-10,12-13,16,31H,4-8,11H2,(H2,24,25,27,28);3-5,11-14H,1-2,6-10H2,(H2,24,25,27,28);5-7,11-14H,3-4,8-10H2,1-2H3,(H2,24,25,27,28);2-4,10-13H,1,5-9H2,(H2,23,24,26,27)/t;;2*16-;;;/m..10.../s1
InChIKeyBGFQSNMKUSQCAP-BSYUCZHWSA-N
MW3182.90 g/mol
LogP29.86
Rot. Bonds23

About azetidin-1-yl-[4-[4-(1,3-benzothiazol-6-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]methanone;4-[4-(1,3-benzothiazol-6-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-N,N-diethyl-3,6-dihydro-2H-pyridine-1-carboxamide;[4-[4-(1,3-benzothiazol-6-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-(4-hydroxypiperidin-1-yl)methanone;[4-[4-(1,3-benzothiazol-6-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone;[4-[4-(1,3-benzothiazol-6-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone;[4-[4-(1,3-benzothiazol-6-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-piperidin-1-ylmethanone;[4-[4-(1,3-benzothiazol-6-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-pyrrolidin-1-ylmethanone

azetidin-1-yl-[4-[4-(1,3-benzothiazol-6-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]methanone;4-[4-(1,3-benzothiazol-6-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-N,N-diethyl-3,6-dihydro-2H-pyridine-1-carboxamide;[4-[4-(1,3-benzothiazol-6-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-(4-hydroxypiperidin-1-yl)methanone;[4-[4-(1,3-benzothiazol-6-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone;[4-[4-(1,3-benzothiazol-6-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone;[4-[4-(1,3-benzothiazol-6-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-piperidin-1-ylmethanone;[4-[4-(1,3-benzothiazol-6-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-pyrrolidin-1-ylmethanone (PubChem CID 157339488) has the molecular formula C162H165N49O10S7 and a molecular weight of 3182.90 g/mol. Its IUPAC name is azetidin-1-yl-[4-[4-(1,3-benzothiazol-6-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]methanone;4-[4-(1,3-benzothiazol-6-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-N,N-diethyl-3,6-dihydro-2H-pyridine-1-carboxamide;[4-[4-(1,3-benzothiazol-6-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-(4-hydroxypiperidin-1-yl)methanone;[4-[4-(1,3-benzothiazol-6-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone;[4-[4-(1,3-benzothiazol-6-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone;[4-[4-(1,3-benzothiazol-6-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-piperidin-1-ylmethanone;[4-[4-(1,3-benzothiazol-6-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Nameazetidin-1-yl-[4-[4-(1,3-benzothiazol-6-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]methanone;4-[4-(1,3-benzothiazol-6-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-N,N-diethyl-3,6-dihydro-2H-pyridine-1-carboxamide;[4-[4-(1,3-benzothiazol-6-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-(4-hydroxypiperidin-1-yl)methanone;[4-[4-(1,3-benzothiazol-6-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone;[4-[4-(1,3-benzothiazol-6-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone;[4-[4-(1,3-benzothiazol-6-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-piperidin-1-ylmethanone;[4-[4-(1,3-benzothiazol-6-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-pyrrolidin-1-ylmethanone
PubChem CID157339488
Molecular FormulaC162H165N49O10S7
Molecular Weight3182.90 g/mol
Exact Mass3180.20
IUPAC Nameazetidin-1-yl-[4-[4-(1,3-benzothiazol-6-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]methanone;4-[4-(1,3-benzothiazol-6-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-N,N-diethyl-3,6-dihydro-2H-pyridine-1-carboxamide;[4-[4-(1,3-benzothiazol-6-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-(4-hydroxypiperidin-1-yl)methanone;[4-[4-(1,3-benzothiazol-6-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone;[4-[4-(1,3-benzothiazol-6-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone;[4-[4-(1,3-benzothiazol-6-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-piperidin-1-ylmethanone;[4-[4-(1,3-benzothiazol-6-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-pyrrolidin-1-ylmethanone
SMILESCCN(CC)C(=O)N1CC=C(c2cc3c(Nc4ccc5ncsc5c4)ncnc3[nH]2)CC1.O=C(N1CC=C(c2cc3c(Nc4ccc5ncsc5c4)ncnc3[nH]2)CC1)N1CCC(O)CC1.O=C(N1CC=C(c2cc3c(Nc4ccc5ncsc5c4)ncnc3[nH]2)CC1)N1CCC1.O=C(N1CC=C(c2cc3c(Nc4ccc5ncsc5c4)ncnc3[nH]2)CC1)N1CCCC1.O=C(N1CC=C(c2cc3c(Nc4ccc5ncsc5c4)ncnc3[nH]2)CC1)N1CCCCC1.O=C(N1CC=C(c2cc3c(Nc4ccc5ncsc5c4)ncnc3[nH]2)CC1)N1CC[C@@H](O)C1.O=C(N1CC=C(c2cc3c(Nc4ccc5ncsc5c4)ncnc3[nH]2)CC1)N1CC[C@H](O)C1
InChIInChI=1S/C24H25N7O2S.C24H25N7OS.2C23H23N7O2S.C23H23N7OS.C23H25N7OS.C22H21N7OS/c32-17-5-9-31(10-6-17)24(33)30-7-3-15(4-8-30)20-12-18-22(25-13-26-23(18)29-20)28-16-1-2-19-21(11-16)34-14-27-19;32-24(30-8-2-1-3-9-30)31-10-6-16(7-11-31)20-13-18-22(25-14-26-23(18)29-20)28-17-4-5-19-21(12-17)33-15-27-19;2*31-16-5-8-30(11-16)23(32)29-6-3-14(4-7-29)19-10-17-21(24-12-25-22(17)28-19)27-15-1-2-18-20(9-15)33-13-26-18;31-23(29-7-1-2-8-29)30-9-5-15(6-10-30)19-12-17-21(24-13-25-22(17)28-19)27-16-3-4-18-20(11-16)32-14-26-18;1-3-29(4-2)23(31)30-9-7-15(8-10-30)19-12-17-21(24-13-25-22(17)28-19)27-16-5-6-18-20(11-16)32-14-26-18;30-22(28-6-1-7-28)29-8-4-14(5-9-29)18-11-16-20(23-12-24-21(16)27-18)26-15-2-3-17-19(10-15)31-13-25-17/h1-3,11-14,17,32H,4-10H2,(H2,25,26,28,29);4-6,12-15H,1-3,7-11H2,(H2,25,26,28,29);2*1-3,9-10,12-13,16,31H,4-8,11H2,(H2,24,25,27,28);3-5,11-14H,1-2,6-10H2,(H2,24,25,27,28);5-7,11-14H,3-4,8-10H2,1-2H3,(H2,24,25,27,28);2-4,10-13H,1,5-9H2,(H2,23,24,26,27)/t;;2*16-;;;/m..10.../s1
InChIKeyBGFQSNMKUSQCAP-BSYUCZHWSA-N
XLogP29.86
TPSA690.97 Ų
H-Bond Donors17
H-Bond Acceptors45
Rotatable Bonds23
Heavy Atoms228
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003182.90
LogP ≤ 529.86
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1045

Analyze azetidin-1-yl-[4-[4-(1,3-benzothiazol-6-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]methanone;4-[4-(1,3-benzothiazol-6-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-N,N-diethyl-3,6-dihydro-2H-pyridine-1-carboxamide;[4-[4-(1,3-benzothiazol-6-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-(4-hydroxypiperidin-1-yl)methanone;[4-[4-(1,3-benzothiazol-6-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone;[4-[4-(1,3-benzothiazol-6-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone;[4-[4-(1,3-benzothiazol-6-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-piperidin-1-ylmethanone;[4-[4-(1,3-benzothiazol-6-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-pyrrolidin-1-ylmethanone with MolForge

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Related Compounds

N-[2-(azepan-1-yl)ethyl]-4-[4-(1,3-benzothiazol-6-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[4-(1,3-benzothiazol-6-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-N-(2-bromoethyl)-3,6-dihydro-2H-pyridine-1-carboxamide;[4-[4-(1,3-benzothiazol-6-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-(4,4-difluoropiperidin-1-yl)methanone;4-[4-(1,3-benzothiazol-6-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-N-[2-(4-hydroxypiperidin-1-yl)ethyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[4-(1,3-benzothiazol-6-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-N-[2-(4-methylpiperazin-1-yl)ethyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[4-(1,3-benzothiazol-6-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-3,6-dihydro-2H-pyridine-1-carboxamide
CID 157725652
CID 158235143
CID 158235143
CID 158557562
CID 158557562
4-[4-(1,3-benzothiazol-6-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-N-[2-(tert-butylamino)ethyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[4-(1,3-benzothiazol-6-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-N-[2-(4,4-difluoropiperidin-1-yl)ethyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[4-(1,3-benzothiazol-6-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-N-[2-(3,5-dimethylpiperazin-1-yl)ethyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[4-(1,3-benzothiazol-6-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-N-[2-(3-hydroxypyrrolidin-1-yl)ethyl]-3,6-dihydro-2H-pyridine-1-carboxamide;N-[6-[1-[3-(4-methylpiperazin-1-yl)propyl]-3,6-dihydro-2H-pyridin-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-1,3-benzothiazol-6-amine;N-[6-[1-(3-piperidin-1-ylpropyl)-3,6-dihydro-2H-pyridin-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-1,3-benzothiazol-6-amine
CID 159111756
4-[4-(1,3-benzothiazol-6-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-N-(4-cyanophenyl)-3,6-dihydro-2H-pyridine-1-carboxamide;4-[4-(1,3-benzothiazol-6-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-N-cyclobutyl-3,6-dihydro-2H-pyridine-1-carboxamide;4-[4-(1,3-benzothiazol-6-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-N-cyclopentyl-3,6-dihydro-2H-pyridine-1-carboxamide;4-[4-(1,3-benzothiazol-6-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-N-(3-morpholin-4-ylpropyl)-3,6-dihydro-2H-pyridine-1-carboxamide;4-[4-(1,3-benzothiazol-6-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-N-phenyl-3,6-dihydro-2H-pyridine-1-carboxamide;4-[4-(1,3-benzothiazol-6-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-N-propan-2-yl-3,6-dihydro-2H-pyridine-1-carboxamide;4-[4-(1,3-benzothiazol-6-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide
CID 159249211
CID 161041602
CID 161041602
4-[4-(1,3-benzothiazol-6-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-N-[2-(3-hydroxypyrrolidin-1-yl)ethyl]-3,6-dihydro-2H-pyridine-1-carboxamide
CID 58709777
[4-[4-(1,3-benzothiazol-6-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 58709827
1-[4-[4-(1,3-benzothiazol-6-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-3-(3-hydroxypyrrolidin-1-yl)-2,2-dimethylpropan-1-one
CID 58709842
1-[4-[4-(1,3-benzothiazol-6-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-3-(4-hydroxypiperidin-1-yl)-2,2-dimethylpropan-1-one
CID 58709936
4-[4-(1,3-benzothiazol-6-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-N-[2-(4-hydroxypiperidin-1-yl)ethyl]-3,6-dihydro-2H-pyridine-1-carboxamide
CID 58709945
[4-[4-(1,3-benzothiazol-6-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-(4-hydroxypiperidin-1-yl)methanone
CID 58709971

Frequently Asked Questions

What is the IUPAC name of azetidin-1-yl-[4-[4-(1,3-benzothiazol-6-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]methanone;4-[4-(1,3-benzothiazol-6-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-N,N-diethyl-3,6-dihydro-2H-pyridine-1-carboxamide;[4-[4-(1,3-benzothiazol-6-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-(4-hydroxypiperidin-1-yl)methanone;[4-[4-(1,3-benzothiazol-6-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone;[4-[4-(1,3-benzothiazol-6-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone;[4-[4-(1,3-benzothiazol-6-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-piperidin-1-ylmethanone;[4-[4-(1,3-benzothiazol-6-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of azetidin-1-yl-[4-[4-(1,3-benzothiazol-6-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]methanone;4-[4-(1,3-benzothiazol-6-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-N,N-diethyl-3,6-dihydro-2H-pyridine-1-carboxamide;[4-[4-(1,3-benzothiazol-6-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-(4-hydroxypiperidin-1-yl)methanone;[4-[4-(1,3-benzothiazol-6-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone;[4-[4-(1,3-benzothiazol-6-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone;[4-[4-(1,3-benzothiazol-6-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-piperidin-1-ylmethanone;[4-[4-(1,3-benzothiazol-6-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-pyrrolidin-1-ylmethanone (CID 157339488) is azetidin-1-yl-[4-[4-(1,3-benzothiazol-6-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]methanone;4-[4-(1,3-benzothiazol-6-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-N,N-diethyl-3,6-dihydro-2H-pyridine-1-carboxamide;[4-[4-(1,3-benzothiazol-6-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-(4-hydroxypiperidin-1-yl)methanone;[4-[4-(1,3-benzothiazol-6-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone;[4-[4-(1,3-benzothiazol-6-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone;[4-[4-(1,3-benzothiazol-6-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-piperidin-1-ylmethanone;[4-[4-(1,3-benzothiazol-6-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for azetidin-1-yl-[4-[4-(1,3-benzothiazol-6-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]methanone;4-[4-(1,3-benzothiazol-6-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-N,N-diethyl-3,6-dihydro-2H-pyridine-1-carboxamide;[4-[4-(1,3-benzothiazol-6-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-(4-hydroxypiperidin-1-yl)methanone;[4-[4-(1,3-benzothiazol-6-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone;[4-[4-(1,3-benzothiazol-6-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone;[4-[4-(1,3-benzothiazol-6-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-piperidin-1-ylmethanone;[4-[4-(1,3-benzothiazol-6-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for azetidin-1-yl-[4-[4-(1,3-benzothiazol-6-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]methanone;4-[4-(1,3-benzothiazol-6-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-N,N-diethyl-3,6-dihydro-2H-pyridine-1-carboxamide;[4-[4-(1,3-benzothiazol-6-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-(4-hydroxypiperidin-1-yl)methanone;[4-[4-(1,3-benzothiazol-6-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone;[4-[4-(1,3-benzothiazol-6-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone;[4-[4-(1,3-benzothiazol-6-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-piperidin-1-ylmethanone;[4-[4-(1,3-benzothiazol-6-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-pyrrolidin-1-ylmethanone is CCN(CC)C(=O)N1CC=C(c2cc3c(Nc4ccc5ncsc5c4)ncnc3[nH]2)CC1.O=C(N1CC=C(c2cc3c(Nc4ccc5ncsc5c4)ncnc3[nH]2)CC1)N1CCC(O)CC1.O=C(N1CC=C(c2cc3c(Nc4ccc5ncsc5c4)ncnc3[nH]2)CC1)N1CCC1.O=C(N1CC=C(c2cc3c(Nc4ccc5ncsc5c4)ncnc3[nH]2)CC1)N1CCCC1.O=C(N1CC=C(c2cc3c(Nc4ccc5ncsc5c4)ncnc3[nH]2)CC1)N1CCCCC1.O=C(N1CC=C(c2cc3c(Nc4ccc5ncsc5c4)ncnc3[nH]2)CC1)N1CC[C@@H](O)C1.O=C(N1CC=C(c2cc3c(Nc4ccc5ncsc5c4)ncnc3[nH]2)CC1)N1CC[C@H](O)C1.
What is the InChIKey of azetidin-1-yl-[4-[4-(1,3-benzothiazol-6-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]methanone;4-[4-(1,3-benzothiazol-6-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-N,N-diethyl-3,6-dihydro-2H-pyridine-1-carboxamide;[4-[4-(1,3-benzothiazol-6-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-(4-hydroxypiperidin-1-yl)methanone;[4-[4-(1,3-benzothiazol-6-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone;[4-[4-(1,3-benzothiazol-6-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone;[4-[4-(1,3-benzothiazol-6-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-piperidin-1-ylmethanone;[4-[4-(1,3-benzothiazol-6-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is BGFQSNMKUSQCAP-BSYUCZHWSA-N. The full InChI is InChI=1S/C24H25N7O2S.C24H25N7OS.2C23H23N7O2S.C23H23N7OS.C23H25N7OS.C22H21N7OS/c32-17-5-9-31(10-6-17)24(33)30-7-3-15(4-8-30)20-12-18-22(25-13-26-23(18)29-20)28-16-1-2-19-21(11-16)34-14-27-19;32-24(30-8-2-1-3-9-30)31-10-6-16(7-11-31)20-13-18-22(25-14-26-23(18)29-20)28-17-4-5-19-21(12-17)33-15-27-19;2*31-16-5-8-30(11-16)23(32)29-6-3-14(4-7-29)19-10-17-21(24-12-25-22(17)28-19)27-15-1-2-18-20(9-15)33-13-26-18;31-23(29-7-1-2-8-29)30-9-5-15(6-10-30)19-12-17-21(24-13-25-22(17)28-19)27-16-3-4-18-20(11-16)32-14-26-18;1-3-29(4-2)23(31)30-9-7-15(8-10-30)19-12-17-21(24-13-25-22(17)28-19)27-16-5-6-18-20(11-16)32-14-26-18;30-22(28-6-1-7-28)29-8-4-14(5-9-29)18-11-16-20(23-12-24-21(16)27-18)26-15-2-3-17-19(10-15)31-13-25-17/h1-3,11-14,17,32H,4-10H2,(H2,25,26,28,29);4-6,12-15H,1-3,7-11H2,(H2,25,26,28,29);2*1-3,9-10,12-13,16,31H,4-8,11H2,(H2,24,25,27,28);3-5,11-14H,1-2,6-10H2,(H2,24,25,27,28);5-7,11-14H,3-4,8-10H2,1-2H3,(H2,24,25,27,28);2-4,10-13H,1,5-9H2,(H2,23,24,26,27)/t;;2*16-;;;/m..10.../s1.
What are the key properties of azetidin-1-yl-[4-[4-(1,3-benzothiazol-6-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]methanone;4-[4-(1,3-benzothiazol-6-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-N,N-diethyl-3,6-dihydro-2H-pyridine-1-carboxamide;[4-[4-(1,3-benzothiazol-6-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-(4-hydroxypiperidin-1-yl)methanone;[4-[4-(1,3-benzothiazol-6-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone;[4-[4-(1,3-benzothiazol-6-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone;[4-[4-(1,3-benzothiazol-6-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-piperidin-1-ylmethanone;[4-[4-(1,3-benzothiazol-6-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-pyrrolidin-1-ylmethanone?
azetidin-1-yl-[4-[4-(1,3-benzothiazol-6-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]methanone;4-[4-(1,3-benzothiazol-6-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-N,N-diethyl-3,6-dihydro-2H-pyridine-1-carboxamide;[4-[4-(1,3-benzothiazol-6-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-(4-hydroxypiperidin-1-yl)methanone;[4-[4-(1,3-benzothiazol-6-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone;[4-[4-(1,3-benzothiazol-6-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone;[4-[4-(1,3-benzothiazol-6-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-piperidin-1-ylmethanone;[4-[4-(1,3-benzothiazol-6-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 3182.90 g/mol, XLogP of 29.86, 23 rotatable bonds, 17 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for azetidin-1-yl-[4-[4-(1,3-benzothiazol-6-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]methanone;4-[4-(1,3-benzothiazol-6-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-N,N-diethyl-3,6-dihydro-2H-pyridine-1-carboxamide;[4-[4-(1,3-benzothiazol-6-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-(4-hydroxypiperidin-1-yl)methanone;[4-[4-(1,3-benzothiazol-6-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone;[4-[4-(1,3-benzothiazol-6-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone;[4-[4-(1,3-benzothiazol-6-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-piperidin-1-ylmethanone;[4-[4-(1,3-benzothiazol-6-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 157339488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).