azepan-1-yl-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)isoquinolin-1-yl]methanone;(3,3-difluoropiperidin-1-yl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)isoquinolin-1-yl]methanone;(4-fluoro-4-methylpiperidin-1-yl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)isoquinolin-1-yl]methanone;(4-methylpiperazin-1-yl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)isoquinolin-1-yl]methanone;[(3S)-3-methylpyrrolidin-1-yl]-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)isoquinolin-1-yl]methanone;bis(piperidin-1-yl-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)isoquinolin-1-yl]methanone)

C149H142F3N43O7 — CID 159768244

IUPACazepan-1-yl-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)isoquinolin-1-yl]methanone;(3,3-difluoropiperidin-1-yl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)isoquinolin-1-yl]methanone;(4-fluoro-4-methylpiperidin-1-yl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)isoquinolin-1-yl]methanone;(4-methylpiperazin-1-yl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)isoquinolin-1-yl]methanone;[(3S)-3-methylpyrrolidin-1-yl]-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)isoquinolin-1-yl]methanone;bis(piperidin-1-yl-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)isoquinolin-1-yl]methanone)
SMILESCC1(F)CCN(C(=O)c2nccc3cc(Nc4n[nH]c5cccnc45)ccc23)CC1.CN1CCN(C(=O)c2nccc3cc(Nc4n[nH]c5cccnc45)ccc23)CC1.C[C@H]1CCN(C(=O)c2nccc3cc(Nc4n[nH]c5cccnc45)ccc23)C1.O=C(c1nccc2cc(Nc3n[nH]c4cccnc34)ccc12)N1CCCC(F)(F)C1.O=C(c1nccc2cc(Nc3n[nH]c4cccnc34)ccc12)N1CCCCC1.O=C(c1nccc2cc(Nc3n[nH]c4cccnc34)ccc12)N1CCCCC1.O=C(c1nccc2cc(Nc3n[nH]c4cccnc34)ccc12)N1CCCCCC1
InChIInChI=1S/C22H21FN6O.C22H22N6O.C21H18F2N6O.C21H21N7O.3C21H20N6O/c1-22(23)7-11-29(12-8-22)21(30)18-16-5-4-15(13-14(16)6-10-25-18)26-20-19-17(27-28-20)3-2-9-24-19;29-22(28-12-3-1-2-4-13-28)19-17-8-7-16(14-15(17)9-11-24-19)25-21-20-18(26-27-21)6-5-10-23-20;22-21(23)7-2-10-29(12-21)20(30)17-15-5-4-14(11-13(15)6-9-25-17)26-19-18-16(27-28-19)3-1-8-24-18;1-27-9-11-28(12-10-27)21(29)18-16-5-4-15(13-14(16)6-8-23-18)24-20-19-17(25-26-20)3-2-7-22-19;1-13-7-10-27(12-13)21(28)18-16-5-4-15(11-14(16)6-9-23-18)24-20-19-17(25-26-20)3-2-8-22-19;2*28-21(27-11-2-1-3-12-27)18-16-7-6-15(13-14(16)8-10-23-18)24-20-19-17(25-26-20)5-4-9-22-19/h2-6,9-10,13H,7-8,11-12H2,1H3,(H2,26,27,28);5-11,14H,1-4,12-13H2,(H2,25,26,27);1,3-6,8-9,11H,2,7,10,12H2,(H2,26,27,28);2-8,13H,9-12H2,1H3,(H2,24,25,26);2-6,8-9,11,13H,7,10,12H2,1H3,(H2,24,25,26);2*4-10,13H,1-3,11-12H2,(H2,24,25,26)/t;;;;13-;;/m....0../s1
InChIKeyNFTXRJGUHXAADW-CEENFJOGSA-N
MW2704.06 g/mol
LogP26.72
Rot. Bonds21

About azepan-1-yl-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)isoquinolin-1-yl]methanone;(3,3-difluoropiperidin-1-yl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)isoquinolin-1-yl]methanone;(4-fluoro-4-methylpiperidin-1-yl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)isoquinolin-1-yl]methanone;(4-methylpiperazin-1-yl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)isoquinolin-1-yl]methanone;[(3S)-3-methylpyrrolidin-1-yl]-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)isoquinolin-1-yl]methanone;bis(piperidin-1-yl-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)isoquinolin-1-yl]methanone)

azepan-1-yl-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)isoquinolin-1-yl]methanone;(3,3-difluoropiperidin-1-yl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)isoquinolin-1-yl]methanone;(4-fluoro-4-methylpiperidin-1-yl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)isoquinolin-1-yl]methanone;(4-methylpiperazin-1-yl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)isoquinolin-1-yl]methanone;[(3S)-3-methylpyrrolidin-1-yl]-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)isoquinolin-1-yl]methanone;bis(piperidin-1-yl-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)isoquinolin-1-yl]methanone) (PubChem CID 159768244) has the molecular formula C149H142F3N43O7 and a molecular weight of 2704.06 g/mol. Its IUPAC name is azepan-1-yl-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)isoquinolin-1-yl]methanone;(3,3-difluoropiperidin-1-yl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)isoquinolin-1-yl]methanone;(4-fluoro-4-methylpiperidin-1-yl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)isoquinolin-1-yl]methanone;(4-methylpiperazin-1-yl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)isoquinolin-1-yl]methanone;[(3S)-3-methylpyrrolidin-1-yl]-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)isoquinolin-1-yl]methanone;bis(piperidin-1-yl-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)isoquinolin-1-yl]methanone).

Molecular Properties

Compound Nameazepan-1-yl-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)isoquinolin-1-yl]methanone;(3,3-difluoropiperidin-1-yl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)isoquinolin-1-yl]methanone;(4-fluoro-4-methylpiperidin-1-yl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)isoquinolin-1-yl]methanone;(4-methylpiperazin-1-yl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)isoquinolin-1-yl]methanone;[(3S)-3-methylpyrrolidin-1-yl]-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)isoquinolin-1-yl]methanone;bis(piperidin-1-yl-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)isoquinolin-1-yl]methanone)
PubChem CID159768244
Molecular FormulaC149H142F3N43O7
Molecular Weight2704.06 g/mol
Exact Mass2702.20
IUPAC Nameazepan-1-yl-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)isoquinolin-1-yl]methanone;(3,3-difluoropiperidin-1-yl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)isoquinolin-1-yl]methanone;(4-fluoro-4-methylpiperidin-1-yl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)isoquinolin-1-yl]methanone;(4-methylpiperazin-1-yl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)isoquinolin-1-yl]methanone;[(3S)-3-methylpyrrolidin-1-yl]-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)isoquinolin-1-yl]methanone;bis(piperidin-1-yl-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)isoquinolin-1-yl]methanone)
SMILESCC1(F)CCN(C(=O)c2nccc3cc(Nc4n[nH]c5cccnc45)ccc23)CC1.CN1CCN(C(=O)c2nccc3cc(Nc4n[nH]c5cccnc45)ccc23)CC1.C[C@H]1CCN(C(=O)c2nccc3cc(Nc4n[nH]c5cccnc45)ccc23)C1.O=C(c1nccc2cc(Nc3n[nH]c4cccnc34)ccc12)N1CCCC(F)(F)C1.O=C(c1nccc2cc(Nc3n[nH]c4cccnc34)ccc12)N1CCCCC1.O=C(c1nccc2cc(Nc3n[nH]c4cccnc34)ccc12)N1CCCCC1.O=C(c1nccc2cc(Nc3n[nH]c4cccnc34)ccc12)N1CCCCCC1
InChIInChI=1S/C22H21FN6O.C22H22N6O.C21H18F2N6O.C21H21N7O.3C21H20N6O/c1-22(23)7-11-29(12-8-22)21(30)18-16-5-4-15(13-14(16)6-10-25-18)26-20-19-17(27-28-20)3-2-9-24-19;29-22(28-12-3-1-2-4-13-28)19-17-8-7-16(14-15(17)9-11-24-19)25-21-20-18(26-27-21)6-5-10-23-20;22-21(23)7-2-10-29(12-21)20(30)17-15-5-4-14(11-13(15)6-9-25-17)26-19-18-16(27-28-19)3-1-8-24-18;1-27-9-11-28(12-10-27)21(29)18-16-5-4-15(13-14(16)6-8-23-18)24-20-19-17(25-26-20)3-2-7-22-19;1-13-7-10-27(12-13)21(28)18-16-5-4-15(11-14(16)6-9-23-18)24-20-19-17(25-26-20)3-2-8-22-19;2*28-21(27-11-2-1-3-12-27)18-16-7-6-15(13-14(16)8-10-23-18)24-20-19-17(25-26-20)5-4-9-22-19/h2-6,9-10,13H,7-8,11-12H2,1H3,(H2,26,27,28);5-11,14H,1-4,12-13H2,(H2,25,26,27);1,3-6,8-9,11H,2,7,10,12H2,(H2,26,27,28);2-8,13H,9-12H2,1H3,(H2,24,25,26);2-6,8-9,11,13H,7,10,12H2,1H3,(H2,24,25,26);2*4-10,13H,1-3,11-12H2,(H2,24,25,26)/t;;;;13-;;/m....0../s1
InChIKeyNFTXRJGUHXAADW-CEENFJOGSA-N
XLogP26.72
TPSA610.84 Ų
H-Bond Donors14
H-Bond Acceptors36
Rotatable Bonds21
Heavy Atoms202
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002704.06
LogP ≤ 526.72
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1036

Analyze azepan-1-yl-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)isoquinolin-1-yl]methanone;(3,3-difluoropiperidin-1-yl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)isoquinolin-1-yl]methanone;(4-fluoro-4-methylpiperidin-1-yl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)isoquinolin-1-yl]methanone;(4-methylpiperazin-1-yl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)isoquinolin-1-yl]methanone;[(3S)-3-methylpyrrolidin-1-yl]-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)isoquinolin-1-yl]methanone;bis(piperidin-1-yl-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)isoquinolin-1-yl]methanone) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[1-[5-[3-carbamoyl-1-[2-[2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-methyl-4-pyridinyl]carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]indazol-5-yl]pyridazin-3-yl]pyridazin-1-ium-4-yl]-1-[2-[4-fluoro-2-[[2-(5-methyl-3-oxopyrazolidin-1-yl)-3-pyridinyl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]indazole-3-carboxamide
CID 123927541
(4-fluoro-4-methylpiperidin-1-yl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)isoquinolin-1-yl]methanone
CID 134294209
(3,3-difluoropiperidin-1-yl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)isoquinolin-1-yl]methanone
CID 134294211
[(3S)-3-fluoropyrrolidin-1-yl]-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)isoquinolin-1-yl]methanone
CID 134294218
N-(3,3-difluorocyclobutyl)-N-methyl-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)isoquinoline-1-carboxamide
CID 134294228
(4,4-difluoropiperidin-1-yl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)isoquinolin-1-yl]methanone
CID 134297200
(4,4-difluoropiperazin-4-ium-1-yl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)isoquinolin-1-yl]methanone
CID 140847014
5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-(6-pyrrolidin-1-yl-3-pyridinyl)-1-[1-[5-[[5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carbonyl]amino]-2-pyridinyl]pyrrolidin-3-yl]indazole-3-carboxamide
CID 146233157
5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-(dimethylamino)-3-pyridinyl]-1-[[methyl-[5-[[5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carbonyl]amino]-2-pyridinyl]amino]methyl]indazole-3-carboxamide
CID 149044100
5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-pyridazin-4-yl-1-[5-[[5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carbonyl]amino]pyridazin-3-yl]indazole-3-carboxamide
CID 155017803
5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide
CID 157052033
5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-(2-methylpyrimidin-5-yl)-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-(2-methylpyrimidin-5-yl)-1H-indazole-3-carboxamide;N-[3-[(dimethylamino)methyl]phenyl]-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-(2-methylpyrimidin-5-yl)-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-(2-methylpyrimidin-5-yl)-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide
CID 157080153

Frequently Asked Questions

What is the IUPAC name of azepan-1-yl-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)isoquinolin-1-yl]methanone;(3,3-difluoropiperidin-1-yl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)isoquinolin-1-yl]methanone;(4-fluoro-4-methylpiperidin-1-yl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)isoquinolin-1-yl]methanone;(4-methylpiperazin-1-yl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)isoquinolin-1-yl]methanone;[(3S)-3-methylpyrrolidin-1-yl]-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)isoquinolin-1-yl]methanone;bis(piperidin-1-yl-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)isoquinolin-1-yl]methanone)?
The IUPAC name of azepan-1-yl-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)isoquinolin-1-yl]methanone;(3,3-difluoropiperidin-1-yl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)isoquinolin-1-yl]methanone;(4-fluoro-4-methylpiperidin-1-yl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)isoquinolin-1-yl]methanone;(4-methylpiperazin-1-yl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)isoquinolin-1-yl]methanone;[(3S)-3-methylpyrrolidin-1-yl]-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)isoquinolin-1-yl]methanone;bis(piperidin-1-yl-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)isoquinolin-1-yl]methanone) (CID 159768244) is azepan-1-yl-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)isoquinolin-1-yl]methanone;(3,3-difluoropiperidin-1-yl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)isoquinolin-1-yl]methanone;(4-fluoro-4-methylpiperidin-1-yl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)isoquinolin-1-yl]methanone;(4-methylpiperazin-1-yl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)isoquinolin-1-yl]methanone;[(3S)-3-methylpyrrolidin-1-yl]-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)isoquinolin-1-yl]methanone;bis(piperidin-1-yl-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)isoquinolin-1-yl]methanone).
What is the SMILES notation for azepan-1-yl-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)isoquinolin-1-yl]methanone;(3,3-difluoropiperidin-1-yl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)isoquinolin-1-yl]methanone;(4-fluoro-4-methylpiperidin-1-yl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)isoquinolin-1-yl]methanone;(4-methylpiperazin-1-yl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)isoquinolin-1-yl]methanone;[(3S)-3-methylpyrrolidin-1-yl]-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)isoquinolin-1-yl]methanone;bis(piperidin-1-yl-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)isoquinolin-1-yl]methanone)?
The canonical SMILES for azepan-1-yl-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)isoquinolin-1-yl]methanone;(3,3-difluoropiperidin-1-yl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)isoquinolin-1-yl]methanone;(4-fluoro-4-methylpiperidin-1-yl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)isoquinolin-1-yl]methanone;(4-methylpiperazin-1-yl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)isoquinolin-1-yl]methanone;[(3S)-3-methylpyrrolidin-1-yl]-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)isoquinolin-1-yl]methanone;bis(piperidin-1-yl-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)isoquinolin-1-yl]methanone) is CC1(F)CCN(C(=O)c2nccc3cc(Nc4n[nH]c5cccnc45)ccc23)CC1.CN1CCN(C(=O)c2nccc3cc(Nc4n[nH]c5cccnc45)ccc23)CC1.C[C@H]1CCN(C(=O)c2nccc3cc(Nc4n[nH]c5cccnc45)ccc23)C1.O=C(c1nccc2cc(Nc3n[nH]c4cccnc34)ccc12)N1CCCC(F)(F)C1.O=C(c1nccc2cc(Nc3n[nH]c4cccnc34)ccc12)N1CCCCC1.O=C(c1nccc2cc(Nc3n[nH]c4cccnc34)ccc12)N1CCCCC1.O=C(c1nccc2cc(Nc3n[nH]c4cccnc34)ccc12)N1CCCCCC1.
What is the InChIKey of azepan-1-yl-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)isoquinolin-1-yl]methanone;(3,3-difluoropiperidin-1-yl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)isoquinolin-1-yl]methanone;(4-fluoro-4-methylpiperidin-1-yl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)isoquinolin-1-yl]methanone;(4-methylpiperazin-1-yl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)isoquinolin-1-yl]methanone;[(3S)-3-methylpyrrolidin-1-yl]-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)isoquinolin-1-yl]methanone;bis(piperidin-1-yl-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)isoquinolin-1-yl]methanone)?
The InChIKey is NFTXRJGUHXAADW-CEENFJOGSA-N. The full InChI is InChI=1S/C22H21FN6O.C22H22N6O.C21H18F2N6O.C21H21N7O.3C21H20N6O/c1-22(23)7-11-29(12-8-22)21(30)18-16-5-4-15(13-14(16)6-10-25-18)26-20-19-17(27-28-20)3-2-9-24-19;29-22(28-12-3-1-2-4-13-28)19-17-8-7-16(14-15(17)9-11-24-19)25-21-20-18(26-27-21)6-5-10-23-20;22-21(23)7-2-10-29(12-21)20(30)17-15-5-4-14(11-13(15)6-9-25-17)26-19-18-16(27-28-19)3-1-8-24-18;1-27-9-11-28(12-10-27)21(29)18-16-5-4-15(13-14(16)6-8-23-18)24-20-19-17(25-26-20)3-2-7-22-19;1-13-7-10-27(12-13)21(28)18-16-5-4-15(11-14(16)6-9-23-18)24-20-19-17(25-26-20)3-2-8-22-19;2*28-21(27-11-2-1-3-12-27)18-16-7-6-15(13-14(16)8-10-23-18)24-20-19-17(25-26-20)5-4-9-22-19/h2-6,9-10,13H,7-8,11-12H2,1H3,(H2,26,27,28);5-11,14H,1-4,12-13H2,(H2,25,26,27);1,3-6,8-9,11H,2,7,10,12H2,(H2,26,27,28);2-8,13H,9-12H2,1H3,(H2,24,25,26);2-6,8-9,11,13H,7,10,12H2,1H3,(H2,24,25,26);2*4-10,13H,1-3,11-12H2,(H2,24,25,26)/t;;;;13-;;/m....0../s1.
What are the key properties of azepan-1-yl-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)isoquinolin-1-yl]methanone;(3,3-difluoropiperidin-1-yl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)isoquinolin-1-yl]methanone;(4-fluoro-4-methylpiperidin-1-yl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)isoquinolin-1-yl]methanone;(4-methylpiperazin-1-yl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)isoquinolin-1-yl]methanone;[(3S)-3-methylpyrrolidin-1-yl]-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)isoquinolin-1-yl]methanone;bis(piperidin-1-yl-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)isoquinolin-1-yl]methanone)?
azepan-1-yl-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)isoquinolin-1-yl]methanone;(3,3-difluoropiperidin-1-yl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)isoquinolin-1-yl]methanone;(4-fluoro-4-methylpiperidin-1-yl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)isoquinolin-1-yl]methanone;(4-methylpiperazin-1-yl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)isoquinolin-1-yl]methanone;[(3S)-3-methylpyrrolidin-1-yl]-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)isoquinolin-1-yl]methanone;bis(piperidin-1-yl-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)isoquinolin-1-yl]methanone) has a molecular weight of 2704.06 g/mol, XLogP of 26.72, 21 rotatable bonds, 14 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-1-yl-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)isoquinolin-1-yl]methanone;(3,3-difluoropiperidin-1-yl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)isoquinolin-1-yl]methanone;(4-fluoro-4-methylpiperidin-1-yl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)isoquinolin-1-yl]methanone;(4-methylpiperazin-1-yl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)isoquinolin-1-yl]methanone;[(3S)-3-methylpyrrolidin-1-yl]-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)isoquinolin-1-yl]methanone;bis(piperidin-1-yl-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)isoquinolin-1-yl]methanone) is sourced from PubChem (CID 159768244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).