1-cyclopentyl-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine;2,4-difluoro-N-[2-methoxy-5-(4-pyridin-4-ylquinolin-6-yl)-3-pyridinyl]benzenesulfonamide;N-[8-[2-[2-(methanesulfonamido)ethoxy]ethoxy]-7-methoxy-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyridine-3-carboxamide;methyl 4-[4-morpholin-4-yl-6-[4-(2-oxobutyl)phenyl]pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylate

C91H93F2N23O13S2 — CID 158961067

IUPAC1-cyclopentyl-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine;2,4-difluoro-N-[2-methoxy-5-(4-pyridin-4-ylquinolin-6-yl)-3-pyridinyl]benzenesulfonamide;N-[8-[2-[2-(methanesulfonamido)ethoxy]ethoxy]-7-methoxy-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyridine-3-carboxamide;methyl 4-[4-morpholin-4-yl-6-[4-(2-oxobutyl)phenyl]pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylate
SMILESCCC(=O)Cc1ccc(-c2nc(N3CCOCC3)c3cnn(C4CCN(C(=O)OC)CC4)c3n2)cc1.COc1c(OCCOCCNS(C)(=O)=O)ccc2c3n(/c(=N/C(=O)c4cccnc4)nc12)CCN3.COc1ncc(-c2ccc3nccc(-c4ccncc4)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F.Nc1ncnc2c1c(-c1cnc3[nH]ccc3c1)nn2C1CCCC1
InChIInChI=1S/C26H18F2N4O3S.C26H32N6O4.C22H26N6O6S.C17H17N7/c1-35-26-24(32-36(33,34)25-5-3-19(27)14-22(25)28)13-18(15-31-26)17-2-4-23-21(12-17)20(8-11-30-23)16-6-9-29-10-7-16;1-3-21(33)16-18-4-6-19(7-5-18)23-28-24(30-12-14-36-15-13-30)22-17-27-32(25(22)29-23)20-8-10-31(11-9-20)26(34)35-2;1-32-19-17(34-13-12-33-11-9-25-35(2,30)31)6-5-16-18(19)26-22(28-10-8-24-20(16)28)27-21(29)15-4-3-7-23-14-15;18-15-13-14(11-7-10-5-6-19-16(10)20-8-11)23-24(12-3-1-2-4-12)17(13)22-9-21-15/h2-15,32H,1H3;4-7,17,20H,3,8-16H2,1-2H3;3-7,14,24-25H,8-13H2,1-2H3;5-9,12H,1-4H2,(H,19,20)(H2,18,21,22)/b;;27-22+;
InChIKeyVFZUTIIQISRZQA-XVJQYQEVSA-N
MW1819.02 g/mol
LogP12.32
Rot. Bonds24

About 1-cyclopentyl-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine;2,4-difluoro-N-[2-methoxy-5-(4-pyridin-4-ylquinolin-6-yl)-3-pyridinyl]benzenesulfonamide;N-[8-[2-[2-(methanesulfonamido)ethoxy]ethoxy]-7-methoxy-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyridine-3-carboxamide;methyl 4-[4-morpholin-4-yl-6-[4-(2-oxobutyl)phenyl]pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylate

1-cyclopentyl-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine;2,4-difluoro-N-[2-methoxy-5-(4-pyridin-4-ylquinolin-6-yl)-3-pyridinyl]benzenesulfonamide;N-[8-[2-[2-(methanesulfonamido)ethoxy]ethoxy]-7-methoxy-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyridine-3-carboxamide;methyl 4-[4-morpholin-4-yl-6-[4-(2-oxobutyl)phenyl]pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylate (PubChem CID 158961067) has the molecular formula C91H93F2N23O13S2 and a molecular weight of 1819.02 g/mol. Its IUPAC name is 1-cyclopentyl-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine;2,4-difluoro-N-[2-methoxy-5-(4-pyridin-4-ylquinolin-6-yl)-3-pyridinyl]benzenesulfonamide;N-[8-[2-[2-(methanesulfonamido)ethoxy]ethoxy]-7-methoxy-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyridine-3-carboxamide;methyl 4-[4-morpholin-4-yl-6-[4-(2-oxobutyl)phenyl]pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Name1-cyclopentyl-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine;2,4-difluoro-N-[2-methoxy-5-(4-pyridin-4-ylquinolin-6-yl)-3-pyridinyl]benzenesulfonamide;N-[8-[2-[2-(methanesulfonamido)ethoxy]ethoxy]-7-methoxy-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyridine-3-carboxamide;methyl 4-[4-morpholin-4-yl-6-[4-(2-oxobutyl)phenyl]pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylate
PubChem CID158961067
Molecular FormulaC91H93F2N23O13S2
Molecular Weight1819.02 g/mol
Exact Mass1817.67
IUPAC Name1-cyclopentyl-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine;2,4-difluoro-N-[2-methoxy-5-(4-pyridin-4-ylquinolin-6-yl)-3-pyridinyl]benzenesulfonamide;N-[8-[2-[2-(methanesulfonamido)ethoxy]ethoxy]-7-methoxy-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyridine-3-carboxamide;methyl 4-[4-morpholin-4-yl-6-[4-(2-oxobutyl)phenyl]pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylate
SMILESCCC(=O)Cc1ccc(-c2nc(N3CCOCC3)c3cnn(C4CCN(C(=O)OC)CC4)c3n2)cc1.COc1c(OCCOCCNS(C)(=O)=O)ccc2c3n(/c(=N/C(=O)c4cccnc4)nc12)CCN3.COc1ncc(-c2ccc3nccc(-c4ccncc4)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F.Nc1ncnc2c1c(-c1cnc3[nH]ccc3c1)nn2C1CCCC1
InChIInChI=1S/C26H18F2N4O3S.C26H32N6O4.C22H26N6O6S.C17H17N7/c1-35-26-24(32-36(33,34)25-5-3-19(27)14-22(25)28)13-18(15-31-26)17-2-4-23-21(12-17)20(8-11-30-23)16-6-9-29-10-7-16;1-3-21(33)16-18-4-6-19(7-5-18)23-28-24(30-12-14-36-15-13-30)22-17-27-32(25(22)29-23)20-8-10-31(11-9-20)26(34)35-2;1-32-19-17(34-13-12-33-11-9-25-35(2,30)31)6-5-16-18(19)26-22(28-10-8-24-20(16)28)27-21(29)15-4-3-7-23-14-15;18-15-13-14(11-7-10-5-6-19-16(10)20-8-11)23-24(12-3-1-2-4-12)17(13)22-9-21-15/h2-15,32H,1H3;4-7,17,20H,3,8-16H2,1-2H3;3-7,14,24-25H,8-13H2,1-2H3;5-9,12H,1-4H2,(H,19,20)(H2,18,21,22)/b;;27-22+;
InChIKeyVFZUTIIQISRZQA-XVJQYQEVSA-N
XLogP12.32
TPSA441.08 Ų
H-Bond Donors5
H-Bond Acceptors31
Rotatable Bonds24
Heavy Atoms131
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001819.02
LogP ≤ 512.32
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1031

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-cyclopentyl-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine;2,4-difluoro-N-[2-methoxy-5-(4-pyridin-4-ylquinolin-6-yl)-3-pyridinyl]benzenesulfonamide;N-[8-[2-[2-(methanesulfonamido)ethoxy]ethoxy]-7-methoxy-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyridine-3-carboxamide;methyl 4-[4-morpholin-4-yl-6-[4-(2-oxobutyl)phenyl]pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylate with MolForge

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Related Compounds

(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[2-cyclopentyl-4-(trifluoromethyl)imidazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;N-[(1S)-2-(3,5-difluorophenyl)-1-[3-[3-(N'-methylcarbamimidoyl)phenyl]-2-pyridinyl]ethyl]-2-indazol-1-ylacetamide;2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(2-methylphenyl)-2-pyridinyl]ethyl]acetamide;2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(4-propan-2-yloxyphenyl)-2-pyridinyl]ethyl]acetamide;N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(4-morpholin-4-ylsulfonylphenyl)-2-pyridinyl]ethyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide
CID 157781022
(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[2-cyclopentyl-4-(trifluoromethyl)imidazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[(2-indazol-1-ylacetyl)amino]ethyl]-3-pyridinyl]-N-methylbenzamide;2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(4-propan-2-yloxyphenyl)-2-pyridinyl]ethyl]acetamide;N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(4-morpholin-4-ylsulfonylphenyl)-2-pyridinyl]ethyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide
CID 158137697
3-[1-(benzenesulfonyl)pyrazol-4-yl]-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrrolo[2,3-b]pyridine;1-[4-[5-[4-(dimethylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]ethanone;1-[4-[5-[4-(dimethylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]-3-phenylpropan-1-one;4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]morpholine;4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-quinolin-6-ylbenzamide;3-(1H-pyrazol-4-yl)-5-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine
CID 161704550
5-tert-butyl-2-methoxypyridine;5-tert-butyl-N-(methyl-methylidene-oxo-lambda6-sulfanyl)pyridin-3-amine;1-(4-tert-butylphenyl)-3-methylurea;5-(3-tert-butylphenyl)-2H-tetrazole;5-tert-butyl-1H-pyrazolo[3,4-b]pyridine;1-(5-tert-butyl-3-pyridinyl)ethenol;N-(5-tert-butyl-3-pyridinyl)-3-fluorobenzenesulfonamide;N-(5-tert-butyl-3-pyridinyl)-2-fluoro-4-methylbenzenesulfonamide;N-(5-tert-butyl-3-pyridinyl)-4-methylbenzenesulfonamide;5-tert-butylpyrimidin-2-amine;5-tert-butyl-1H-pyrrolo[2,3-b]pyridine;3-tert-butyl-5-(1H-1,2,4-triazol-5-yl)pyridine;3-tert-butyl-5-(1,2,4-triazol-1-yl)pyridine;methane;methyl 5-tert-butylpyridine-3-carboxylate
CID 157533426
CID 158146560
CID 158146560
5-tert-butyl-1,3-dihydroinden-2-one;6-tert-butyl-3,4-dihydro-2H-isoquinolin-1-one;4-tert-butyl-N,N-dimethylbenzamide;4-tert-butyl-N,N-dimethylbenzenesulfonamide;5-tert-butyl-N,N-dimethylpyridin-2-amine;1-tert-butyl-4-ethylbenzene;1-tert-butyl-4-fluorobenzene;4-tert-butyl-2-fluorophenol;6-tert-butylimidazo[1,2-a]pyridine;6-tert-butyl-1H-indole;7-tert-butyl-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine;6-tert-butyl-1-methylindazole;4-tert-butyl-N-(methyl-methylidene-oxo-lambda6-sulfanyl)aniline;1-tert-butyl-4-methylsulfonylbenzene;(3-tert-butylphenyl)-(4-methylpiperazin-1-yl)methanone;1-(4-tert-butylphenyl)sulfonyl-4-methylpiperazine
CID 159228487
tert-butyl 4-[4-[1-(benzenesulfonyl)-3-[2-fluoro-6-[2-(5-fluoro-2-methoxy-3-pyridinyl)ethyl]pyridine-3-carbonyl]pyrrolo[2,3-b]pyridin-5-yl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[3-[[2-fluoro-6-[2-(5-fluoro-2-methoxy-3-pyridinyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrazol-1-yl]piperidine-1-carboxylate;3-[[2-fluoro-6-[2-(5-fluoro-2-methoxy-3-pyridinyl)ethyl]-3-pyridinyl]methyl]-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
CID 159465876
25-Methoxy-22,22-dioxo-22lambda6,31-dithia-3,4,6,23,26-pentazahexacyclo[22.3.1.12,5.19,13.117,21.04,8]hentriaconta-1(28),2,5,7,9,11,13(30),17(29),18,20,24,26-dodecaen-16-one;5-methoxy-8,8-dioxo-8lambda6-thia-4,7,15,24,25,28-hexazahexacyclo[20.5.2.12,6.19,13.117,21.025,29]dotriaconta-1(28),2(32),3,5,9,11,13(31),17(30),18,20,22(29),23,26-tridecaen-14-one;18-methoxy-15,15-dioxo-15lambda6-thia-4,5,8,16,19,26-hexazahexacyclo[20.6.2.12,5.110,14.117,21.025,29]tritriaconta-1(29),2(33),3,10(32),11,13,17,19,21(31),22(30),23,25,27-tridecaen-9-one;18-methoxy-15,15-dioxo-15lambda6-thia-4,5,8,16,19,26,28,29-octazahexacyclo[20.5.2.12,5.110,14.117,21.025,28]dotriaconta-1(27),2(32),3,10(31),11,13,17,19,21(30),22(29),23,25-dodecaen-9-one;5-methoxy-8,8-dioxo-8lambda6-thia-4,7,15,19,26-pentazahexacyclo[20.5.2.12,6.19,13.117,21.025,29]dotriaconta-1(28),2(32),3,5,9,11,13(31),17(30),18,20,22,25(29),26-tridecae
CID 159614631
CID 160648330
CID 160648330
28-Methoxy-25,25-dioxo-25lambda6,34-dithia-3,4,6,11,15,26,29-heptazahexacyclo[25.3.1.12,5.19,13.120,24.04,8]tetratriaconta-1(31),2,5,7,9,11,13(33),20(32),21,23,27,29-dodecaene-16,19-dione;5-methoxy-8,8-dioxo-8lambda6-thia-4,7,15,19,24,25,28-heptazahexacyclo[20.5.2.12,6.19,13.117,21.025,29]dotriaconta-1(28),2(32),3,5,9,11,13(31),17(30),18,20,22(29),23,26-tridecaen-14-one;5-methoxy-8,8-dioxo-8lambda6-thia-4,7,15,19,24,28,29-heptazahexacyclo[20.5.2.12,6.19,13.117,21.025,29]dotriaconta-1(28),2(32),3,5,9,11,13(31),17(30),18,20,22,24,26-tridecaen-14-one;5-methoxy-8,8-dioxo-8lambda6-thia-4,7,15,24,28,29-hexazahexacyclo[20.5.2.12,6.19,13.117,21.025,29]dotriaconta-1(28),2(32),3,5,9,11,13(31),17(30),18,20,22,24,26-tridecaen-14-one;5-methoxy-8,8-dioxo-8lambda6-thia-4,7,15,18,25-pentazahexacyclo[20.6.2.12,6.19,13.117,21.026,30]tritriaconta-1(29),2(33),3,5,9,11,13(32),17,19,21(31),22(30),23,25,27-tet
CID 161194799
2,4-difluoro-N-[2-methoxy-5-(4-pyridazin-4-ylquinolin-6-yl)-3-pyridinyl]benzenesulfonamide;1-[4-[7,7-dimethyl-4-[(3S)-3-methylmorpholin-4-yl]-6,6-dioxo-5H-thieno[3,4-d]pyrimidin-2-yl]phenyl]-3-ethylurea;2-methyl-2-[4-(3-methyl-2-oxo-8-quinolin-3-ylimidazo[4,5-c]quinolin-1-yl)phenyl]propanenitrile;2-morpholin-4-yl-8-phenylchromen-4-one
CID 164102092
2-amino-8-[4-(2-hydroxyethoxy)cyclohexyl]-6-(6-methoxy-3-pyridinyl)-4-methylpyrido[2,3-d]pyrimidin-7-one;2-amino-N-[7-methoxy-8-(3-morpholin-4-ylpropoxy)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyrimidine-5-carboxamide;2,4-difluoro-N-[2-methoxy-5-(4-pyridazin-4-ylquinolin-6-yl)-3-pyridinyl]benzenesulfonamide
CID 165003105

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine;2,4-difluoro-N-[2-methoxy-5-(4-pyridin-4-ylquinolin-6-yl)-3-pyridinyl]benzenesulfonamide;N-[8-[2-[2-(methanesulfonamido)ethoxy]ethoxy]-7-methoxy-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyridine-3-carboxamide;methyl 4-[4-morpholin-4-yl-6-[4-(2-oxobutyl)phenyl]pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylate?
The IUPAC name of 1-cyclopentyl-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine;2,4-difluoro-N-[2-methoxy-5-(4-pyridin-4-ylquinolin-6-yl)-3-pyridinyl]benzenesulfonamide;N-[8-[2-[2-(methanesulfonamido)ethoxy]ethoxy]-7-methoxy-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyridine-3-carboxamide;methyl 4-[4-morpholin-4-yl-6-[4-(2-oxobutyl)phenyl]pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylate (CID 158961067) is 1-cyclopentyl-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine;2,4-difluoro-N-[2-methoxy-5-(4-pyridin-4-ylquinolin-6-yl)-3-pyridinyl]benzenesulfonamide;N-[8-[2-[2-(methanesulfonamido)ethoxy]ethoxy]-7-methoxy-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyridine-3-carboxamide;methyl 4-[4-morpholin-4-yl-6-[4-(2-oxobutyl)phenyl]pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylate.
What is the SMILES notation for 1-cyclopentyl-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine;2,4-difluoro-N-[2-methoxy-5-(4-pyridin-4-ylquinolin-6-yl)-3-pyridinyl]benzenesulfonamide;N-[8-[2-[2-(methanesulfonamido)ethoxy]ethoxy]-7-methoxy-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyridine-3-carboxamide;methyl 4-[4-morpholin-4-yl-6-[4-(2-oxobutyl)phenyl]pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylate?
The canonical SMILES for 1-cyclopentyl-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine;2,4-difluoro-N-[2-methoxy-5-(4-pyridin-4-ylquinolin-6-yl)-3-pyridinyl]benzenesulfonamide;N-[8-[2-[2-(methanesulfonamido)ethoxy]ethoxy]-7-methoxy-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyridine-3-carboxamide;methyl 4-[4-morpholin-4-yl-6-[4-(2-oxobutyl)phenyl]pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylate is CCC(=O)Cc1ccc(-c2nc(N3CCOCC3)c3cnn(C4CCN(C(=O)OC)CC4)c3n2)cc1.COc1c(OCCOCCNS(C)(=O)=O)ccc2c3n(/c(=N/C(=O)c4cccnc4)nc12)CCN3.COc1ncc(-c2ccc3nccc(-c4ccncc4)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F.Nc1ncnc2c1c(-c1cnc3[nH]ccc3c1)nn2C1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine;2,4-difluoro-N-[2-methoxy-5-(4-pyridin-4-ylquinolin-6-yl)-3-pyridinyl]benzenesulfonamide;N-[8-[2-[2-(methanesulfonamido)ethoxy]ethoxy]-7-methoxy-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyridine-3-carboxamide;methyl 4-[4-morpholin-4-yl-6-[4-(2-oxobutyl)phenyl]pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylate?
The InChIKey is VFZUTIIQISRZQA-XVJQYQEVSA-N. The full InChI is InChI=1S/C26H18F2N4O3S.C26H32N6O4.C22H26N6O6S.C17H17N7/c1-35-26-24(32-36(33,34)25-5-3-19(27)14-22(25)28)13-18(15-31-26)17-2-4-23-21(12-17)20(8-11-30-23)16-6-9-29-10-7-16;1-3-21(33)16-18-4-6-19(7-5-18)23-28-24(30-12-14-36-15-13-30)22-17-27-32(25(22)29-23)20-8-10-31(11-9-20)26(34)35-2;1-32-19-17(34-13-12-33-11-9-25-35(2,30)31)6-5-16-18(19)26-22(28-10-8-24-20(16)28)27-21(29)15-4-3-7-23-14-15;18-15-13-14(11-7-10-5-6-19-16(10)20-8-11)23-24(12-3-1-2-4-12)17(13)22-9-21-15/h2-15,32H,1H3;4-7,17,20H,3,8-16H2,1-2H3;3-7,14,24-25H,8-13H2,1-2H3;5-9,12H,1-4H2,(H,19,20)(H2,18,21,22)/b;;27-22+;.
What are the key properties of 1-cyclopentyl-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine;2,4-difluoro-N-[2-methoxy-5-(4-pyridin-4-ylquinolin-6-yl)-3-pyridinyl]benzenesulfonamide;N-[8-[2-[2-(methanesulfonamido)ethoxy]ethoxy]-7-methoxy-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyridine-3-carboxamide;methyl 4-[4-morpholin-4-yl-6-[4-(2-oxobutyl)phenyl]pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylate?
1-cyclopentyl-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine;2,4-difluoro-N-[2-methoxy-5-(4-pyridin-4-ylquinolin-6-yl)-3-pyridinyl]benzenesulfonamide;N-[8-[2-[2-(methanesulfonamido)ethoxy]ethoxy]-7-methoxy-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyridine-3-carboxamide;methyl 4-[4-morpholin-4-yl-6-[4-(2-oxobutyl)phenyl]pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylate has a molecular weight of 1819.02 g/mol, XLogP of 12.32, 24 rotatable bonds, 5 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine;2,4-difluoro-N-[2-methoxy-5-(4-pyridin-4-ylquinolin-6-yl)-3-pyridinyl]benzenesulfonamide;N-[8-[2-[2-(methanesulfonamido)ethoxy]ethoxy]-7-methoxy-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyridine-3-carboxamide;methyl 4-[4-morpholin-4-yl-6-[4-(2-oxobutyl)phenyl]pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylate is sourced from PubChem (CID 158961067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).