tert-butyl 4-[4-(1H-indazol-5-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[4-(1H-indol-5-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;2-(dimethylamino)-1-[4-[4-(1H-indazol-5-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-[4-(1H-indazol-5-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone;N-(1H-indazol-5-yl)-6-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(1H-indazol-5-yl)-6-(1,2,3,6-tetrahydropyridin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2,2,2-trifluoro-1-[4-[4-(1H-indazol-5-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone;hydrochloride

C146H147ClF3N49O9S — CID 160640942

IUPACtert-butyl 4-[4-(1H-indazol-5-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[4-(1H-indol-5-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;2-(dimethylamino)-1-[4-[4-(1H-indazol-5-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-[4-(1H-indazol-5-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone;N-(1H-indazol-5-yl)-6-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(1H-indazol-5-yl)-6-(1,2,3,6-tetrahydropyridin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2,2,2-trifluoro-1-[4-[4-(1H-indazol-5-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone;hydrochloride
SMILESC1=C(c2cc3c(Nc4ccc5[nH]ncc5c4)ncnc3[nH]2)CCNC1.CC(=O)N1CC=C(c2cc3c(Nc4ccc5[nH]ncc5c4)ncnc3[nH]2)CC1.CC(C)(C)OC(=O)N1CC=C(c2cc3c(Nc4ccc5[nH]ccc5c4)ncnc3[nH]2)CC1.CC(C)(C)OC(=O)N1CC=C(c2cc3c(Nc4ccc5[nH]ncc5c4)ncnc3[nH]2)CC1.CN(C)CC(=O)N1CC=C(c2cc3c(Nc4ccc5[nH]ncc5c4)ncnc3[nH]2)CC1.CS(=O)(=O)N1CC=C(c2cc3c(Nc4ccc5[nH]ncc5c4)ncnc3[nH]2)CC1.Cl.O=C(N1CC=C(c2cc3c(Nc4ccc5[nH]ncc5c4)ncnc3[nH]2)CC1)C(F)(F)F
InChIInChI=1S/C24H26N6O2.C23H25N7O2.C22H24N8O.C20H16F3N7O.C20H19N7O.C19H19N7O2S.C18H17N7.ClH/c1-24(2,3)32-23(31)30-10-7-15(8-11-30)20-13-18-21(26-14-27-22(18)29-20)28-17-4-5-19-16(12-17)6-9-25-19;1-23(2,3)32-22(31)30-8-6-14(7-9-30)19-11-17-20(24-13-25-21(17)28-19)27-16-4-5-18-15(10-16)12-26-29-18;1-29(2)12-20(31)30-7-5-14(6-8-30)19-10-17-21(23-13-24-22(17)27-19)26-16-3-4-18-15(9-16)11-25-28-18;21-20(22,23)19(31)30-5-3-11(4-6-30)16-8-14-17(24-10-25-18(14)28-16)27-13-1-2-15-12(7-13)9-26-29-15;1-12(28)27-6-4-13(5-7-27)18-9-16-19(21-11-22-20(16)25-18)24-15-2-3-17-14(8-15)10-23-26-17;1-29(27,28)26-6-4-12(5-7-26)17-9-15-18(20-11-21-19(15)24-17)23-14-2-3-16-13(8-14)10-22-25-16;1-2-15-12(9-22-25-15)7-13(1)23-17-14-8-16(11-3-5-19-6-4-11)24-18(14)21-10-20-17;/h4-7,9,12-14,25H,8,10-11H2,1-3H3,(H2,26,27,28,29);4-6,10-13H,7-9H2,1-3H3,(H,26,29)(H2,24,25,27,28);3-5,9-11,13H,6-8,12H2,1-2H3,(H,25,28)(H2,23,24,26,27);1-3,7-10H,4-6H2,(H,26,29)(H2,24,25,27,28);2-4,8-11H,5-7H2,1H3,(H,23,26)(H2,21,22,24,25);2-4,8-11H,5-7H2,1H3,(H,22,25)(H2,20,21,23,24);1-3,7-10,19H,4-6H2,(H,22,25)(H2,20,21,23,24);1H
InChIKeyKFEPNHRZKUPCDJ-UHFFFAOYSA-N
MW2856.63 g/mol
LogP25.54
Rot. Bonds24

About tert-butyl 4-[4-(1H-indazol-5-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[4-(1H-indol-5-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;2-(dimethylamino)-1-[4-[4-(1H-indazol-5-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-[4-(1H-indazol-5-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone;N-(1H-indazol-5-yl)-6-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(1H-indazol-5-yl)-6-(1,2,3,6-tetrahydropyridin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2,2,2-trifluoro-1-[4-[4-(1H-indazol-5-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone;hydrochloride

tert-butyl 4-[4-(1H-indazol-5-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[4-(1H-indol-5-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;2-(dimethylamino)-1-[4-[4-(1H-indazol-5-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-[4-(1H-indazol-5-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone;N-(1H-indazol-5-yl)-6-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(1H-indazol-5-yl)-6-(1,2,3,6-tetrahydropyridin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2,2,2-trifluoro-1-[4-[4-(1H-indazol-5-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone;hydrochloride (PubChem CID 160640942) has the molecular formula C146H147ClF3N49O9S and a molecular weight of 2856.63 g/mol. Its IUPAC name is tert-butyl 4-[4-(1H-indazol-5-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[4-(1H-indol-5-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;2-(dimethylamino)-1-[4-[4-(1H-indazol-5-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-[4-(1H-indazol-5-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone;N-(1H-indazol-5-yl)-6-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(1H-indazol-5-yl)-6-(1,2,3,6-tetrahydropyridin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2,2,2-trifluoro-1-[4-[4-(1H-indazol-5-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone;hydrochloride.

Molecular Properties

Compound Nametert-butyl 4-[4-(1H-indazol-5-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[4-(1H-indol-5-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;2-(dimethylamino)-1-[4-[4-(1H-indazol-5-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-[4-(1H-indazol-5-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone;N-(1H-indazol-5-yl)-6-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(1H-indazol-5-yl)-6-(1,2,3,6-tetrahydropyridin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2,2,2-trifluoro-1-[4-[4-(1H-indazol-5-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone;hydrochloride
PubChem CID160640942
Molecular FormulaC146H147ClF3N49O9S
Molecular Weight2856.63 g/mol
Exact Mass2854.19
IUPAC Nametert-butyl 4-[4-(1H-indazol-5-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[4-(1H-indol-5-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;2-(dimethylamino)-1-[4-[4-(1H-indazol-5-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-[4-(1H-indazol-5-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone;N-(1H-indazol-5-yl)-6-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(1H-indazol-5-yl)-6-(1,2,3,6-tetrahydropyridin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2,2,2-trifluoro-1-[4-[4-(1H-indazol-5-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone;hydrochloride
SMILESC1=C(c2cc3c(Nc4ccc5[nH]ncc5c4)ncnc3[nH]2)CCNC1.CC(=O)N1CC=C(c2cc3c(Nc4ccc5[nH]ncc5c4)ncnc3[nH]2)CC1.CC(C)(C)OC(=O)N1CC=C(c2cc3c(Nc4ccc5[nH]ccc5c4)ncnc3[nH]2)CC1.CC(C)(C)OC(=O)N1CC=C(c2cc3c(Nc4ccc5[nH]ncc5c4)ncnc3[nH]2)CC1.CN(C)CC(=O)N1CC=C(c2cc3c(Nc4ccc5[nH]ncc5c4)ncnc3[nH]2)CC1.CS(=O)(=O)N1CC=C(c2cc3c(Nc4ccc5[nH]ncc5c4)ncnc3[nH]2)CC1.Cl.O=C(N1CC=C(c2cc3c(Nc4ccc5[nH]ncc5c4)ncnc3[nH]2)CC1)C(F)(F)F
InChIInChI=1S/C24H26N6O2.C23H25N7O2.C22H24N8O.C20H16F3N7O.C20H19N7O.C19H19N7O2S.C18H17N7.ClH/c1-24(2,3)32-23(31)30-10-7-15(8-11-30)20-13-18-21(26-14-27-22(18)29-20)28-17-4-5-19-16(12-17)6-9-25-19;1-23(2,3)32-22(31)30-8-6-14(7-9-30)19-11-17-20(24-13-25-21(17)28-19)27-16-4-5-18-15(10-16)12-26-29-18;1-29(2)12-20(31)30-7-5-14(6-8-30)19-10-17-21(23-13-24-22(17)27-19)26-16-3-4-18-15(9-16)11-25-28-18;21-20(22,23)19(31)30-5-3-11(4-6-30)16-8-14-17(24-10-25-18(14)28-16)27-13-1-2-15-12(7-13)9-26-29-15;1-12(28)27-6-4-13(5-7-27)18-9-16-19(21-11-22-20(16)25-18)24-15-2-3-17-14(8-15)10-23-26-17;1-29(27,28)26-6-4-12(5-7-26)17-9-15-18(20-11-21-19(15)24-17)23-14-2-3-16-13(8-14)10-22-25-16;1-2-15-12(9-22-25-15)7-13(1)23-17-14-8-16(11-3-5-19-6-4-11)24-18(14)21-10-20-17;/h4-7,9,12-14,25H,8,10-11H2,1-3H3,(H2,26,27,28,29);4-6,10-13H,7-9H2,1-3H3,(H,26,29)(H2,24,25,27,28);3-5,9-11,13H,6-8,12H2,1-2H3,(H,25,28)(H2,23,24,26,27);1-3,7-10H,4-6H2,(H,26,29)(H2,24,25,27,28);2-4,8-11H,5-7H2,1H3,(H,23,26)(H2,21,22,24,25);2-4,8-11H,5-7H2,1H3,(H,22,25)(H2,20,21,23,24);1-3,7-10,19H,4-6H2,(H,22,25)(H2,20,21,23,24);1H
InChIKeyKFEPNHRZKUPCDJ-UHFFFAOYSA-N
XLogP25.54
TPSA735.73 Ų
H-Bond Donors22
H-Bond Acceptors38
Rotatable Bonds24
Heavy Atoms209
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002856.63
LogP ≤ 525.54
H-Bond Donors ≤ 522
H-Bond Acceptors ≤ 1038

Analyze tert-butyl 4-[4-(1H-indazol-5-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[4-(1H-indol-5-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;2-(dimethylamino)-1-[4-[4-(1H-indazol-5-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-[4-(1H-indazol-5-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone;N-(1H-indazol-5-yl)-6-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(1H-indazol-5-yl)-6-(1,2,3,6-tetrahydropyridin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2,2,2-trifluoro-1-[4-[4-(1H-indazol-5-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone;hydrochloride with MolForge

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Related Compounds

N-[[3-fluoro-5-[2-[5-[5-[[3-[7-[3-fluoro-5-(methanesulfonamidomethyl)phenyl]-2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazol-4-yl]piperidin-1-yl]methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazol-4-yl]phenyl]methyl]methanesulfonamide
CID 137117819
CID 157327219
CID 157327219
N-[3-[3-(7H-cyclopenta[b]pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-(trifluoromethyl)phenyl]prop-2-enamide;(E)-4-(dimethylamino)-N-[5-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]but-2-enamide;N-[3-[3-(5-ethyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;N-[3-(1-methylpyrazol-4-yl)-5-[3-(5-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;N-[3-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-(trifluoromethyl)phenyl]prop-2-enamide;N-[3-(3-pyrimidin-4-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)-5-(trifluoromethyl)phenyl]prop-2-enamide
CID 157424870
N-(1H-indol-5-yl)-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide;N-[2-(1-methylpyrrolidin-2-yl)ethyl]-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide;4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-(2-pyridin-2-ylethyl)benzamide;4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
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(3S)-N-[3-[4-(dimethylamino)phenyl]-1H-indazol-5-yl]-1-[2-[4-(2-fluoro-4-pyrimidin-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-3-methoxypyrrolidine-3-carboxamide;(3S)-N-[3-(2-ethyl-4-pyridinyl)-1H-indazol-5-yl]-1-[2-[4-(2-fluoro-4-pyrimidin-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-3-methoxypyrrolidine-3-carboxamide;(3S)-1-[2-[4-(2-fluoro-4-pyrimidin-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-3-methoxy-N-[3-[2-(trifluoromethyl)-4-pyridinyl]-1H-indazol-5-yl]pyrrolidine-3-carboxamide
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(3S)-N-[3-(2-cyclopropyl-4-pyridinyl)-1H-indazol-5-yl]-3-methoxy-1-[2-[4-methyl-4-(4-pyrimidin-2-ylphenyl)piperidin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide;(3S)-N-[3-[2-(difluoromethyl)-4-pyridinyl]-1H-indazol-5-yl]-3-methoxy-1-[2-[4-methyl-4-(4-pyrimidin-2-ylphenyl)piperidin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide;(3S)-N-[3-(4-fluorophenyl)-1H-indazol-5-yl]-3-methoxy-1-[2-[4-methyl-4-(4-pyrimidin-2-ylphenyl)piperidin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide;(3S)-1-[2-[4-(2-fluoro-4-pyrimidin-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-3-methoxy-N-[3-[2-(trifluoromethyl)-4-pyridinyl]-1H-indazol-5-yl]pyrrolidine-3-carboxamide
CID 158966915
4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperazin-2-one;N-[[1-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]methyl]methanesulfonamide;1-[1-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]pyrrolidin-2-one;6-bromo-5-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-quinolin-3-yl-5-[2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]pyrazolo[1,5-a]pyrimidin-7-amine
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CID 159523928
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N-[3-[2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]-5-fluorophenyl]-N',N'-dimethylethane-1,2-diamine;N-[5-[3-[7-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-3-methylbutanamide;N-[5-[3-[7-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;N-[3-fluoro-5-[2-(5-pyrimidin-5-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-3H-imidazo[4,5-c]pyridin-7-yl]phenyl]-N',N'-dimethylethane-1,2-diamine
CID 159859870
3-[4-[3-fluoro-5-[(4-methylpiperazin-1-yl)methyl]phenyl]-1H-benzimidazol-2-yl]-5-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridine;3-[4-[3-fluoro-5-(4-methylpiperazin-1-yl)phenyl]-1H-benzimidazol-2-yl]-5-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridine;N-[5-[3-[4-(3-fluorophenyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide;2,2,2-trifluoro-N-[5-[3-[4-(3-fluorophenyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]acetamide
CID 160619846
(3S)-N-[3-[4-(dimethylamino)phenyl]-1H-indazol-5-yl]-1-[2-[4-(2-fluoro-4-pyrimidin-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-3-methoxypyrrolidine-3-carboxamide;(3S)-N-[3-(4-fluorophenyl)-1H-indazol-5-yl]-3-methoxy-1-[2-[4-methyl-4-(4-pyrimidin-2-ylphenyl)piperidin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide;(3S)-1-[2-[4-(2-fluoro-4-pyrimidin-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-3-methoxy-N-[3-[2-(trifluoromethyl)-4-pyridinyl]-1H-indazol-5-yl]pyrrolidine-3-carboxamide
CID 160960458
tert-butyl 3-[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)pyrazol-1-yl]-3-(isocyanomethyl)azetidine-1-carboxylate;tert-butyl 3-(isocyanomethyl)-3-[4-([1,2,4]triazolo[1,5-a]pyridin-5-yl)pyrazol-1-yl]azetidine-1-carboxylate;carbanide;5-[1-[3-(isocyanomethyl)azetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine;5-[1-[3-(isocyanomethyl)-1-(trifluoromethylsulfonyl)azetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine;5-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;tungsten
CID 161296148

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[4-(1H-indazol-5-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[4-(1H-indol-5-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;2-(dimethylamino)-1-[4-[4-(1H-indazol-5-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-[4-(1H-indazol-5-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone;N-(1H-indazol-5-yl)-6-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(1H-indazol-5-yl)-6-(1,2,3,6-tetrahydropyridin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2,2,2-trifluoro-1-[4-[4-(1H-indazol-5-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone;hydrochloride?
The IUPAC name of tert-butyl 4-[4-(1H-indazol-5-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[4-(1H-indol-5-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;2-(dimethylamino)-1-[4-[4-(1H-indazol-5-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-[4-(1H-indazol-5-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone;N-(1H-indazol-5-yl)-6-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(1H-indazol-5-yl)-6-(1,2,3,6-tetrahydropyridin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2,2,2-trifluoro-1-[4-[4-(1H-indazol-5-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone;hydrochloride (CID 160640942) is tert-butyl 4-[4-(1H-indazol-5-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[4-(1H-indol-5-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;2-(dimethylamino)-1-[4-[4-(1H-indazol-5-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-[4-(1H-indazol-5-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone;N-(1H-indazol-5-yl)-6-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(1H-indazol-5-yl)-6-(1,2,3,6-tetrahydropyridin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2,2,2-trifluoro-1-[4-[4-(1H-indazol-5-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone;hydrochloride.
What is the SMILES notation for tert-butyl 4-[4-(1H-indazol-5-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[4-(1H-indol-5-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;2-(dimethylamino)-1-[4-[4-(1H-indazol-5-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-[4-(1H-indazol-5-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone;N-(1H-indazol-5-yl)-6-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(1H-indazol-5-yl)-6-(1,2,3,6-tetrahydropyridin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2,2,2-trifluoro-1-[4-[4-(1H-indazol-5-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone;hydrochloride?
The canonical SMILES for tert-butyl 4-[4-(1H-indazol-5-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[4-(1H-indol-5-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;2-(dimethylamino)-1-[4-[4-(1H-indazol-5-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-[4-(1H-indazol-5-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone;N-(1H-indazol-5-yl)-6-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(1H-indazol-5-yl)-6-(1,2,3,6-tetrahydropyridin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2,2,2-trifluoro-1-[4-[4-(1H-indazol-5-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone;hydrochloride is C1=C(c2cc3c(Nc4ccc5[nH]ncc5c4)ncnc3[nH]2)CCNC1.CC(=O)N1CC=C(c2cc3c(Nc4ccc5[nH]ncc5c4)ncnc3[nH]2)CC1.CC(C)(C)OC(=O)N1CC=C(c2cc3c(Nc4ccc5[nH]ccc5c4)ncnc3[nH]2)CC1.CC(C)(C)OC(=O)N1CC=C(c2cc3c(Nc4ccc5[nH]ncc5c4)ncnc3[nH]2)CC1.CN(C)CC(=O)N1CC=C(c2cc3c(Nc4ccc5[nH]ncc5c4)ncnc3[nH]2)CC1.CS(=O)(=O)N1CC=C(c2cc3c(Nc4ccc5[nH]ncc5c4)ncnc3[nH]2)CC1.Cl.O=C(N1CC=C(c2cc3c(Nc4ccc5[nH]ncc5c4)ncnc3[nH]2)CC1)C(F)(F)F.
What is the InChIKey of tert-butyl 4-[4-(1H-indazol-5-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[4-(1H-indol-5-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;2-(dimethylamino)-1-[4-[4-(1H-indazol-5-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-[4-(1H-indazol-5-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone;N-(1H-indazol-5-yl)-6-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(1H-indazol-5-yl)-6-(1,2,3,6-tetrahydropyridin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2,2,2-trifluoro-1-[4-[4-(1H-indazol-5-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone;hydrochloride?
The InChIKey is KFEPNHRZKUPCDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O2.C23H25N7O2.C22H24N8O.C20H16F3N7O.C20H19N7O.C19H19N7O2S.C18H17N7.ClH/c1-24(2,3)32-23(31)30-10-7-15(8-11-30)20-13-18-21(26-14-27-22(18)29-20)28-17-4-5-19-16(12-17)6-9-25-19;1-23(2,3)32-22(31)30-8-6-14(7-9-30)19-11-17-20(24-13-25-21(17)28-19)27-16-4-5-18-15(10-16)12-26-29-18;1-29(2)12-20(31)30-7-5-14(6-8-30)19-10-17-21(23-13-24-22(17)27-19)26-16-3-4-18-15(9-16)11-25-28-18;21-20(22,23)19(31)30-5-3-11(4-6-30)16-8-14-17(24-10-25-18(14)28-16)27-13-1-2-15-12(7-13)9-26-29-15;1-12(28)27-6-4-13(5-7-27)18-9-16-19(21-11-22-20(16)25-18)24-15-2-3-17-14(8-15)10-23-26-17;1-29(27,28)26-6-4-12(5-7-26)17-9-15-18(20-11-21-19(15)24-17)23-14-2-3-16-13(8-14)10-22-25-16;1-2-15-12(9-22-25-15)7-13(1)23-17-14-8-16(11-3-5-19-6-4-11)24-18(14)21-10-20-17;/h4-7,9,12-14,25H,8,10-11H2,1-3H3,(H2,26,27,28,29);4-6,10-13H,7-9H2,1-3H3,(H,26,29)(H2,24,25,27,28);3-5,9-11,13H,6-8,12H2,1-2H3,(H,25,28)(H2,23,24,26,27);1-3,7-10H,4-6H2,(H,26,29)(H2,24,25,27,28);2-4,8-11H,5-7H2,1H3,(H,23,26)(H2,21,22,24,25);2-4,8-11H,5-7H2,1H3,(H,22,25)(H2,20,21,23,24);1-3,7-10,19H,4-6H2,(H,22,25)(H2,20,21,23,24);1H.
What are the key properties of tert-butyl 4-[4-(1H-indazol-5-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[4-(1H-indol-5-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;2-(dimethylamino)-1-[4-[4-(1H-indazol-5-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-[4-(1H-indazol-5-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone;N-(1H-indazol-5-yl)-6-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(1H-indazol-5-yl)-6-(1,2,3,6-tetrahydropyridin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2,2,2-trifluoro-1-[4-[4-(1H-indazol-5-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone;hydrochloride?
tert-butyl 4-[4-(1H-indazol-5-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[4-(1H-indol-5-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;2-(dimethylamino)-1-[4-[4-(1H-indazol-5-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-[4-(1H-indazol-5-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone;N-(1H-indazol-5-yl)-6-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(1H-indazol-5-yl)-6-(1,2,3,6-tetrahydropyridin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2,2,2-trifluoro-1-[4-[4-(1H-indazol-5-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone;hydrochloride has a molecular weight of 2856.63 g/mol, XLogP of 25.54, 24 rotatable bonds, 22 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[4-(1H-indazol-5-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[4-(1H-indol-5-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;2-(dimethylamino)-1-[4-[4-(1H-indazol-5-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-[4-(1H-indazol-5-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone;N-(1H-indazol-5-yl)-6-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(1H-indazol-5-yl)-6-(1,2,3,6-tetrahydropyridin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2,2,2-trifluoro-1-[4-[4-(1H-indazol-5-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone;hydrochloride is sourced from PubChem (CID 160640942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).