N-[4-[3-amino-1-[2-(dimethylamino)ethyl]pyrazolo[3,4-b]pyridin-4-yl]phenyl]-1-(2-fluoro-5-methylphenyl)cyclopropane-1-carboxamide;N-[4-[3-amino-1-(2-pyrrolidin-1-ylethyl)pyrazolo[3,4-b]pyridin-4-yl]phenyl]-1-(3-fluorophenyl)cyclopropane-1-carboxamide;N-[4-[3-amino-1-(2-pyrrolidin-1-ylethyl)pyrazolo[3,4-b]pyridin-4-yl]phenyl]-1-[2-fluoro-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide

C84H86F6N18O3 — CID 158451770

IUPACN-[4-[3-amino-1-[2-(dimethylamino)ethyl]pyrazolo[3,4-b]pyridin-4-yl]phenyl]-1-(2-fluoro-5-methylphenyl)cyclopropane-1-carboxamide;N-[4-[3-amino-1-(2-pyrrolidin-1-ylethyl)pyrazolo[3,4-b]pyridin-4-yl]phenyl]-1-(3-fluorophenyl)cyclopropane-1-carboxamide;N-[4-[3-amino-1-(2-pyrrolidin-1-ylethyl)pyrazolo[3,4-b]pyridin-4-yl]phenyl]-1-[2-fluoro-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
SMILESCc1ccc(F)c(C2(C(=O)Nc3ccc(-c4ccnc5c4c(N)nn5CCN(C)C)cc3)CC2)c1.Nc1nn(CCN2CCCC2)c2nccc(-c3ccc(NC(=O)C4(c5cc(C(F)(F)F)ccc5F)CC4)cc3)c12.Nc1nn(CCN2CCCC2)c2nccc(-c3ccc(NC(=O)C4(c5cccc(F)c5)CC4)cc3)c12
InChIInChI=1S/C29H28F4N6O.C28H29FN6O.C27H29FN6O/c30-23-8-5-19(29(31,32)33)17-22(23)28(10-11-28)27(40)36-20-6-3-18(4-7-20)21-9-12-35-26-24(21)25(34)37-39(26)16-15-38-13-1-2-14-38;29-21-5-3-4-20(18-21)28(11-12-28)27(36)32-22-8-6-19(7-9-22)23-10-13-31-26-24(23)25(30)33-35(26)17-16-34-14-1-2-15-34;1-17-4-9-22(28)21(16-17)27(11-12-27)26(35)31-19-7-5-18(6-8-19)20-10-13-30-25-23(20)24(29)32-34(25)15-14-33(2)3/h3-9,12,17H,1-2,10-11,13-16H2,(H2,34,37)(H,36,40);3-10,13,18H,1-2,11-12,14-17H2,(H2,30,33)(H,32,36);4-10,13,16H,11-12,14-15H2,1-3H3,(H2,29,32)(H,31,35)
InChIKeyHEBXKMQMJPCPJF-UHFFFAOYSA-N
MW1509.72 g/mol
LogP14.55
Rot. Bonds21

About N-[4-[3-amino-1-[2-(dimethylamino)ethyl]pyrazolo[3,4-b]pyridin-4-yl]phenyl]-1-(2-fluoro-5-methylphenyl)cyclopropane-1-carboxamide;N-[4-[3-amino-1-(2-pyrrolidin-1-ylethyl)pyrazolo[3,4-b]pyridin-4-yl]phenyl]-1-(3-fluorophenyl)cyclopropane-1-carboxamide;N-[4-[3-amino-1-(2-pyrrolidin-1-ylethyl)pyrazolo[3,4-b]pyridin-4-yl]phenyl]-1-[2-fluoro-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide

N-[4-[3-amino-1-[2-(dimethylamino)ethyl]pyrazolo[3,4-b]pyridin-4-yl]phenyl]-1-(2-fluoro-5-methylphenyl)cyclopropane-1-carboxamide;N-[4-[3-amino-1-(2-pyrrolidin-1-ylethyl)pyrazolo[3,4-b]pyridin-4-yl]phenyl]-1-(3-fluorophenyl)cyclopropane-1-carboxamide;N-[4-[3-amino-1-(2-pyrrolidin-1-ylethyl)pyrazolo[3,4-b]pyridin-4-yl]phenyl]-1-[2-fluoro-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide (PubChem CID 158451770) has the molecular formula C84H86F6N18O3 and a molecular weight of 1509.72 g/mol. Its IUPAC name is N-[4-[3-amino-1-[2-(dimethylamino)ethyl]pyrazolo[3,4-b]pyridin-4-yl]phenyl]-1-(2-fluoro-5-methylphenyl)cyclopropane-1-carboxamide;N-[4-[3-amino-1-(2-pyrrolidin-1-ylethyl)pyrazolo[3,4-b]pyridin-4-yl]phenyl]-1-(3-fluorophenyl)cyclopropane-1-carboxamide;N-[4-[3-amino-1-(2-pyrrolidin-1-ylethyl)pyrazolo[3,4-b]pyridin-4-yl]phenyl]-1-[2-fluoro-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[4-[3-amino-1-[2-(dimethylamino)ethyl]pyrazolo[3,4-b]pyridin-4-yl]phenyl]-1-(2-fluoro-5-methylphenyl)cyclopropane-1-carboxamide;N-[4-[3-amino-1-(2-pyrrolidin-1-ylethyl)pyrazolo[3,4-b]pyridin-4-yl]phenyl]-1-(3-fluorophenyl)cyclopropane-1-carboxamide;N-[4-[3-amino-1-(2-pyrrolidin-1-ylethyl)pyrazolo[3,4-b]pyridin-4-yl]phenyl]-1-[2-fluoro-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
PubChem CID158451770
Molecular FormulaC84H86F6N18O3
Molecular Weight1509.72 g/mol
Exact Mass1508.70
IUPAC NameN-[4-[3-amino-1-[2-(dimethylamino)ethyl]pyrazolo[3,4-b]pyridin-4-yl]phenyl]-1-(2-fluoro-5-methylphenyl)cyclopropane-1-carboxamide;N-[4-[3-amino-1-(2-pyrrolidin-1-ylethyl)pyrazolo[3,4-b]pyridin-4-yl]phenyl]-1-(3-fluorophenyl)cyclopropane-1-carboxamide;N-[4-[3-amino-1-(2-pyrrolidin-1-ylethyl)pyrazolo[3,4-b]pyridin-4-yl]phenyl]-1-[2-fluoro-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
SMILESCc1ccc(F)c(C2(C(=O)Nc3ccc(-c4ccnc5c4c(N)nn5CCN(C)C)cc3)CC2)c1.Nc1nn(CCN2CCCC2)c2nccc(-c3ccc(NC(=O)C4(c5cc(C(F)(F)F)ccc5F)CC4)cc3)c12.Nc1nn(CCN2CCCC2)c2nccc(-c3ccc(NC(=O)C4(c5cccc(F)c5)CC4)cc3)c12
InChIInChI=1S/C29H28F4N6O.C28H29FN6O.C27H29FN6O/c30-23-8-5-19(29(31,32)33)17-22(23)28(10-11-28)27(40)36-20-6-3-18(4-7-20)21-9-12-35-26-24(21)25(34)37-39(26)16-15-38-13-1-2-14-38;29-21-5-3-4-20(18-21)28(11-12-28)27(36)32-22-8-6-19(7-9-22)23-10-13-31-26-24(23)25(30)33-35(26)17-16-34-14-1-2-15-34;1-17-4-9-22(28)21(16-17)27(11-12-27)26(35)31-19-7-5-18(6-8-19)20-10-13-30-25-23(20)24(29)32-34(25)15-14-33(2)3/h3-9,12,17H,1-2,10-11,13-16H2,(H2,34,37)(H,36,40);3-10,13,18H,1-2,11-12,14-17H2,(H2,30,33)(H,32,36);4-10,13,16H,11-12,14-15H2,1-3H3,(H2,29,32)(H,31,35)
InChIKeyHEBXKMQMJPCPJF-UHFFFAOYSA-N
XLogP14.55
TPSA267.21 Ų
H-Bond Donors6
H-Bond Acceptors18
Rotatable Bonds21
Heavy Atoms111
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001509.72
LogP ≤ 514.55
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1018

Analyze N-[4-[3-amino-1-[2-(dimethylamino)ethyl]pyrazolo[3,4-b]pyridin-4-yl]phenyl]-1-(2-fluoro-5-methylphenyl)cyclopropane-1-carboxamide;N-[4-[3-amino-1-(2-pyrrolidin-1-ylethyl)pyrazolo[3,4-b]pyridin-4-yl]phenyl]-1-(3-fluorophenyl)cyclopropane-1-carboxamide;N-[4-[3-amino-1-(2-pyrrolidin-1-ylethyl)pyrazolo[3,4-b]pyridin-4-yl]phenyl]-1-[2-fluoro-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide with MolForge

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Related Compounds

N-[4-(3-amino-1-methylpyrazolo[3,4-b]pyridin-4-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 59463673
N-[4-(3-amino-1-methylpyrazolo[3,4-b]pyridin-4-yl)phenyl]-1-[2-fluoro-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 59463680
N-[4-[3-amino-1-(2-pyrrolidin-1-ylethyl)pyrazolo[3,4-b]pyridin-4-yl]phenyl]-1-(3-fluorophenyl)cyclopropane-1-carboxamide
CID 59463718
N-[4-[3-amino-1-(2-pyrrolidin-1-ylethyl)pyrazolo[3,4-b]pyridin-4-yl]phenyl]-1-[2-fluoro-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 59463724
N-[4-[3-amino-1-[2-(dimethylamino)ethyl]pyrazolo[3,4-b]pyridin-4-yl]phenyl]-1-(2-fluoro-5-methylphenyl)cyclopropane-1-carboxamide
CID 59463729
1-(5-amino-1,3-dihydroisoindol-2-yl)-2,2,2-trifluoroethanone;6-chloro-N-(2,6-dimethylphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-3-amine;1-[5-[[3-(2,6-dimethylanilino)-1-methylpyrazolo[3,4-d]pyrimidin-6-yl]amino]-1,3-dihydroisoindol-2-yl]ethanone
CID 157135988
N,N-dimethyl-4-[[8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-[(1-methylpiperidin-4-yl)methyl]-4-[[8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-(2-piperazin-1-ylethyl)-4-[[8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-(piperidin-4-ylmethyl)-4-[[8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-piperidin-4-yl-4-[[8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 157192480
N-[4-(3-amino-6-tert-butyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide;N-[4-(3-amino-1-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-1-(3-fluorophenyl)cyclopropane-1-carboxamide;N-[4-(3-amino-1-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 157193252
1,3-dimethyl-5-[6-(4-methylpiperazin-1-yl)-4-propan-2-yl-2-pyridinyl]indazole;1,3-dimethyl-5-propan-2-ylindazole;1-methyl-3-(4-methylpiperazin-1-yl)-5-propan-2-ylindazole;1-methyl-3-(4-methylpiperazin-1-yl)-6-propan-2-ylindazole;1-methyl-5-propan-2-yl-3-pyridin-3-ylpyrrolo[2,3-b]pyridine;7-propan-2-yl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;N,N,1-trimethyl-5-propan-2-ylindazol-3-amine;1,3,3-trimethyl-5-propan-2-ylindol-2-one
CID 157259556
1-[1-ethyl-4-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyrazolo[5,4-b]pyridin-6-yl]cyclopropane-1-carboxamide;1-[4-[(1-methylpiperidin-4-yl)methyl]-3-(trifluoromethyl)phenyl]-3-[4-(1-methylpyrazolo[3,4-b]pyridin-4-yl)phenyl]urea;1-[1-methyl-4-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyrazolo[5,4-b]pyridin-6-yl]cyclopropane-1-carboxamide;1-[4-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-1H-pyrazolo[5,4-b]pyridin-6-yl]cyclopropane-1-carboxamide
CID 157309265
2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-(4-fluorophenyl)-3H-imidazo[4,5-c]pyridine;N-[5-[3-[7-(4-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclohexanecarboxamide;N-[5-[3-[7-(2-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide;N-[5-[3-[7-(2-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-2-phenylacetamide
CID 157386437
(3E)-3-[[7-(cyclopropylamino)-5-[4-(dimethylamino)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(3E)-3-[[7-(cyclopropylamino)-5-(3-fluorophenyl)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(3E)-3-[[7-(cyclopropylamino)-5-(2-fluoro-4-pyridinyl)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(3E)-3-[[7-(cyclopropylamino)-5-[3-(morpholin-4-ylmethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one
CID 157399172

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-amino-1-[2-(dimethylamino)ethyl]pyrazolo[3,4-b]pyridin-4-yl]phenyl]-1-(2-fluoro-5-methylphenyl)cyclopropane-1-carboxamide;N-[4-[3-amino-1-(2-pyrrolidin-1-ylethyl)pyrazolo[3,4-b]pyridin-4-yl]phenyl]-1-(3-fluorophenyl)cyclopropane-1-carboxamide;N-[4-[3-amino-1-(2-pyrrolidin-1-ylethyl)pyrazolo[3,4-b]pyridin-4-yl]phenyl]-1-[2-fluoro-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
The IUPAC name of N-[4-[3-amino-1-[2-(dimethylamino)ethyl]pyrazolo[3,4-b]pyridin-4-yl]phenyl]-1-(2-fluoro-5-methylphenyl)cyclopropane-1-carboxamide;N-[4-[3-amino-1-(2-pyrrolidin-1-ylethyl)pyrazolo[3,4-b]pyridin-4-yl]phenyl]-1-(3-fluorophenyl)cyclopropane-1-carboxamide;N-[4-[3-amino-1-(2-pyrrolidin-1-ylethyl)pyrazolo[3,4-b]pyridin-4-yl]phenyl]-1-[2-fluoro-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide (CID 158451770) is N-[4-[3-amino-1-[2-(dimethylamino)ethyl]pyrazolo[3,4-b]pyridin-4-yl]phenyl]-1-(2-fluoro-5-methylphenyl)cyclopropane-1-carboxamide;N-[4-[3-amino-1-(2-pyrrolidin-1-ylethyl)pyrazolo[3,4-b]pyridin-4-yl]phenyl]-1-(3-fluorophenyl)cyclopropane-1-carboxamide;N-[4-[3-amino-1-(2-pyrrolidin-1-ylethyl)pyrazolo[3,4-b]pyridin-4-yl]phenyl]-1-[2-fluoro-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for N-[4-[3-amino-1-[2-(dimethylamino)ethyl]pyrazolo[3,4-b]pyridin-4-yl]phenyl]-1-(2-fluoro-5-methylphenyl)cyclopropane-1-carboxamide;N-[4-[3-amino-1-(2-pyrrolidin-1-ylethyl)pyrazolo[3,4-b]pyridin-4-yl]phenyl]-1-(3-fluorophenyl)cyclopropane-1-carboxamide;N-[4-[3-amino-1-(2-pyrrolidin-1-ylethyl)pyrazolo[3,4-b]pyridin-4-yl]phenyl]-1-[2-fluoro-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for N-[4-[3-amino-1-[2-(dimethylamino)ethyl]pyrazolo[3,4-b]pyridin-4-yl]phenyl]-1-(2-fluoro-5-methylphenyl)cyclopropane-1-carboxamide;N-[4-[3-amino-1-(2-pyrrolidin-1-ylethyl)pyrazolo[3,4-b]pyridin-4-yl]phenyl]-1-(3-fluorophenyl)cyclopropane-1-carboxamide;N-[4-[3-amino-1-(2-pyrrolidin-1-ylethyl)pyrazolo[3,4-b]pyridin-4-yl]phenyl]-1-[2-fluoro-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide is Cc1ccc(F)c(C2(C(=O)Nc3ccc(-c4ccnc5c4c(N)nn5CCN(C)C)cc3)CC2)c1.Nc1nn(CCN2CCCC2)c2nccc(-c3ccc(NC(=O)C4(c5cc(C(F)(F)F)ccc5F)CC4)cc3)c12.Nc1nn(CCN2CCCC2)c2nccc(-c3ccc(NC(=O)C4(c5cccc(F)c5)CC4)cc3)c12.
What is the InChIKey of N-[4-[3-amino-1-[2-(dimethylamino)ethyl]pyrazolo[3,4-b]pyridin-4-yl]phenyl]-1-(2-fluoro-5-methylphenyl)cyclopropane-1-carboxamide;N-[4-[3-amino-1-(2-pyrrolidin-1-ylethyl)pyrazolo[3,4-b]pyridin-4-yl]phenyl]-1-(3-fluorophenyl)cyclopropane-1-carboxamide;N-[4-[3-amino-1-(2-pyrrolidin-1-ylethyl)pyrazolo[3,4-b]pyridin-4-yl]phenyl]-1-[2-fluoro-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
The InChIKey is HEBXKMQMJPCPJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28F4N6O.C28H29FN6O.C27H29FN6O/c30-23-8-5-19(29(31,32)33)17-22(23)28(10-11-28)27(40)36-20-6-3-18(4-7-20)21-9-12-35-26-24(21)25(34)37-39(26)16-15-38-13-1-2-14-38;29-21-5-3-4-20(18-21)28(11-12-28)27(36)32-22-8-6-19(7-9-22)23-10-13-31-26-24(23)25(30)33-35(26)17-16-34-14-1-2-15-34;1-17-4-9-22(28)21(16-17)27(11-12-27)26(35)31-19-7-5-18(6-8-19)20-10-13-30-25-23(20)24(29)32-34(25)15-14-33(2)3/h3-9,12,17H,1-2,10-11,13-16H2,(H2,34,37)(H,36,40);3-10,13,18H,1-2,11-12,14-17H2,(H2,30,33)(H,32,36);4-10,13,16H,11-12,14-15H2,1-3H3,(H2,29,32)(H,31,35).
What are the key properties of N-[4-[3-amino-1-[2-(dimethylamino)ethyl]pyrazolo[3,4-b]pyridin-4-yl]phenyl]-1-(2-fluoro-5-methylphenyl)cyclopropane-1-carboxamide;N-[4-[3-amino-1-(2-pyrrolidin-1-ylethyl)pyrazolo[3,4-b]pyridin-4-yl]phenyl]-1-(3-fluorophenyl)cyclopropane-1-carboxamide;N-[4-[3-amino-1-(2-pyrrolidin-1-ylethyl)pyrazolo[3,4-b]pyridin-4-yl]phenyl]-1-[2-fluoro-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
N-[4-[3-amino-1-[2-(dimethylamino)ethyl]pyrazolo[3,4-b]pyridin-4-yl]phenyl]-1-(2-fluoro-5-methylphenyl)cyclopropane-1-carboxamide;N-[4-[3-amino-1-(2-pyrrolidin-1-ylethyl)pyrazolo[3,4-b]pyridin-4-yl]phenyl]-1-(3-fluorophenyl)cyclopropane-1-carboxamide;N-[4-[3-amino-1-(2-pyrrolidin-1-ylethyl)pyrazolo[3,4-b]pyridin-4-yl]phenyl]-1-[2-fluoro-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide has a molecular weight of 1509.72 g/mol, XLogP of 14.55, 21 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-amino-1-[2-(dimethylamino)ethyl]pyrazolo[3,4-b]pyridin-4-yl]phenyl]-1-(2-fluoro-5-methylphenyl)cyclopropane-1-carboxamide;N-[4-[3-amino-1-(2-pyrrolidin-1-ylethyl)pyrazolo[3,4-b]pyridin-4-yl]phenyl]-1-(3-fluorophenyl)cyclopropane-1-carboxamide;N-[4-[3-amino-1-(2-pyrrolidin-1-ylethyl)pyrazolo[3,4-b]pyridin-4-yl]phenyl]-1-[2-fluoro-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 158451770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).