2-amino-N-[(1S,2S)-2-[[4-(2-methyl-1H-indol-5-yl)phenyl]methoxy]cyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide

C31H32N6O2 — CID 171525056

IUPAC2-amino-N-[(1S,2S)-2-[[4-(2-methyl-1H-indol-5-yl)phenyl]methoxy]cyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
SMILESCc1cc2cc(-c3ccc(CO[C@H]4CCC[C@@H]4NC(=O)c4cc(-c5cnn(C)c5)cnc4N)cc3)ccc2[nH]1
InChIInChI=1S/C31H32N6O2/c1-19-12-23-13-22(10-11-27(23)35-19)21-8-6-20(7-9-21)18-39-29-5-3-4-28(29)36-31(38)26-14-24(15-33-30(26)32)25-16-34-37(2)17-25/h6-17,28-29,35H,3-5,18H2,1-2H3,(H2,32,33)(H,36,38)/t28-,29-/m0/s1
InChIKeyCEKRSXDLSLLWDI-VMPREFPWSA-N
MW520.64 g/mol
LogP5.39
Rot. Bonds7

About 2-amino-N-[(1S,2S)-2-[[4-(2-methyl-1H-indol-5-yl)phenyl]methoxy]cyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide

2-amino-N-[(1S,2S)-2-[[4-(2-methyl-1H-indol-5-yl)phenyl]methoxy]cyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide (PubChem CID 171525056) has the molecular formula C31H32N6O2 and a molecular weight of 520.64 g/mol. Its IUPAC name is 2-amino-N-[(1S,2S)-2-[[4-(2-methyl-1H-indol-5-yl)phenyl]methoxy]cyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-[(1S,2S)-2-[[4-(2-methyl-1H-indol-5-yl)phenyl]methoxy]cyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
PubChem CID171525056
Molecular FormulaC31H32N6O2
Molecular Weight520.64 g/mol
Exact Mass520.26
IUPAC Name2-amino-N-[(1S,2S)-2-[[4-(2-methyl-1H-indol-5-yl)phenyl]methoxy]cyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
SMILESCc1cc2cc(-c3ccc(CO[C@H]4CCC[C@@H]4NC(=O)c4cc(-c5cnn(C)c5)cnc4N)cc3)ccc2[nH]1
InChIInChI=1S/C31H32N6O2/c1-19-12-23-13-22(10-11-27(23)35-19)21-8-6-20(7-9-21)18-39-29-5-3-4-28(29)36-31(38)26-14-24(15-33-30(26)32)25-16-34-37(2)17-25/h6-17,28-29,35H,3-5,18H2,1-2H3,(H2,32,33)(H,36,38)/t28-,29-/m0/s1
InChIKeyCEKRSXDLSLLWDI-VMPREFPWSA-N
XLogP5.39
TPSA110.85 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.64
LogP ≤ 55.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-amino-N-[(1S,2S)-2-[[4-(2-methyl-1H-indol-5-yl)phenyl]methoxy]cyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide 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

2-amino-N-[(1S,2S)-2-[[4-[4-[(dimethylamino)methyl]phenyl]phenyl]methoxy]cyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
CID 126644119
2-amino-N-[(1S,2S)-2-[(4-bromophenyl)methoxy]cyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
CID 126654169
2-amino-N-[(2S)-2-[(4-chlorophenyl)methoxy]cyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
CID 126654151
2-amino-5-(1-methylpyrazol-4-yl)-N-[(2S)-2-phenylmethoxycyclopentyl]pyridine-3-carboxamide
CID 126654149
2-amino-N-[(1S,2S)-2-[[4-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]phenyl]methoxy]cyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
CID 126644105
2-amino-5-(1-methylpyrazol-4-yl)-N-[(1S,2S)-2-(naphthalen-2-ylmethoxy)cyclopentyl]pyridine-3-carboxamide
CID 126644649
2-amino-N-[(1S,2S)-2-[[4-[4-[[(3R)-3-methylpiperazin-1-yl]methyl]phenyl]phenyl]methoxy]cyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
CID 126644932
2-amino-N-[(1S,2S)-2-[[4-(1H-indol-7-yl)phenyl]methoxy]cyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
CID 171524959
2-amino-N-[(1S,2S)-2-[[4-[4-[[1-(2-hydroxyethyl)piperidin-4-yl]methyl]phenyl]phenyl]methoxy]cyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
CID 126644080
2-amino-N-[(1S,2S)-2-[[4-[4-[[(3R)-3,4-dimethylpiperazin-1-yl]methyl]phenyl]phenyl]methoxy]cyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
CID 126644514
2-amino-5-(1-methylpyrazol-4-yl)-N-[2-[(2,4,5-trifluorophenyl)methoxy]cyclopentyl]pyridine-3-carboxamide
CID 126644284
2-amino-N-[(1S,2S)-2-[[4-[2-[(1-methylazetidine-3-carbonyl)amino]-2,3-dihydro-1H-inden-5-yl]phenyl]methoxy]cyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
CID 171524842

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(1S,2S)-2-[[4-(2-methyl-1H-indol-5-yl)phenyl]methoxy]cyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide?
The IUPAC name of 2-amino-N-[(1S,2S)-2-[[4-(2-methyl-1H-indol-5-yl)phenyl]methoxy]cyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide (CID 171525056) is 2-amino-N-[(1S,2S)-2-[[4-(2-methyl-1H-indol-5-yl)phenyl]methoxy]cyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide.
What is the SMILES notation for 2-amino-N-[(1S,2S)-2-[[4-(2-methyl-1H-indol-5-yl)phenyl]methoxy]cyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide?
The canonical SMILES for 2-amino-N-[(1S,2S)-2-[[4-(2-methyl-1H-indol-5-yl)phenyl]methoxy]cyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide is Cc1cc2cc(-c3ccc(CO[C@H]4CCC[C@@H]4NC(=O)c4cc(-c5cnn(C)c5)cnc4N)cc3)ccc2[nH]1.
What is the InChIKey of 2-amino-N-[(1S,2S)-2-[[4-(2-methyl-1H-indol-5-yl)phenyl]methoxy]cyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide?
The InChIKey is CEKRSXDLSLLWDI-VMPREFPWSA-N. The full InChI is InChI=1S/C31H32N6O2/c1-19-12-23-13-22(10-11-27(23)35-19)21-8-6-20(7-9-21)18-39-29-5-3-4-28(29)36-31(38)26-14-24(15-33-30(26)32)25-16-34-37(2)17-25/h6-17,28-29,35H,3-5,18H2,1-2H3,(H2,32,33)(H,36,38)/t28-,29-/m0/s1.
What are the key properties of 2-amino-N-[(1S,2S)-2-[[4-(2-methyl-1H-indol-5-yl)phenyl]methoxy]cyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide?
2-amino-N-[(1S,2S)-2-[[4-(2-methyl-1H-indol-5-yl)phenyl]methoxy]cyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide has a molecular weight of 520.64 g/mol, XLogP of 5.39, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(1S,2S)-2-[[4-(2-methyl-1H-indol-5-yl)phenyl]methoxy]cyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide is sourced from PubChem (CID 171525056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).