N-[(1-amino-7-methoxyisoquinolin-6-yl)methyl]-2-cyclopropyl-1-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]imidazole-4-carboxamide

C27H30N8O2 — CID 121366593

IUPACN-[(1-amino-7-methoxyisoquinolin-6-yl)methyl]-2-cyclopropyl-1-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]imidazole-4-carboxamide
SMILESCOc1cc2c(N)nccc2cc1CNC(=O)c1cn(Cc2cnc(N3CCCC3)nc2)c(C2CC2)n1
InChIInChI=1S/C27H30N8O2/c1-37-23-11-21-19(6-7-29-24(21)28)10-20(23)14-30-26(36)22-16-35(25(33-22)18-4-5-18)15-17-12-31-27(32-13-17)34-8-2-3-9-34/h6-7,10-13,16,18H,2-5,8-9,14-15H2,1H3,(H2,28,29)(H,30,36)
InChIKeyKGUDRYLBGVIKBU-UHFFFAOYSA-N
MW498.59 g/mol
LogP3.27
Rot. Bonds8

About N-[(1-amino-7-methoxyisoquinolin-6-yl)methyl]-2-cyclopropyl-1-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]imidazole-4-carboxamide

N-[(1-amino-7-methoxyisoquinolin-6-yl)methyl]-2-cyclopropyl-1-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]imidazole-4-carboxamide (PubChem CID 121366593) has the molecular formula C27H30N8O2 and a molecular weight of 498.59 g/mol. Its IUPAC name is N-[(1-amino-7-methoxyisoquinolin-6-yl)methyl]-2-cyclopropyl-1-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]imidazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1-amino-7-methoxyisoquinolin-6-yl)methyl]-2-cyclopropyl-1-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]imidazole-4-carboxamide
PubChem CID121366593
Molecular FormulaC27H30N8O2
Molecular Weight498.59 g/mol
Exact Mass498.25
IUPAC NameN-[(1-amino-7-methoxyisoquinolin-6-yl)methyl]-2-cyclopropyl-1-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]imidazole-4-carboxamide
SMILESCOc1cc2c(N)nccc2cc1CNC(=O)c1cn(Cc2cnc(N3CCCC3)nc2)c(C2CC2)n1
InChIInChI=1S/C27H30N8O2/c1-37-23-11-21-19(6-7-29-24(21)28)10-20(23)14-30-26(36)22-16-35(25(33-22)18-4-5-18)15-17-12-31-27(32-13-17)34-8-2-3-9-34/h6-7,10-13,16,18H,2-5,8-9,14-15H2,1H3,(H2,28,29)(H,30,36)
InChIKeyKGUDRYLBGVIKBU-UHFFFAOYSA-N
XLogP3.27
TPSA124.08 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.59
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-[(1-amino-7-methoxyisoquinolin-6-yl)methyl]-2-cyclopropyl-1-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]imidazole-4-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

N-[(1-amino-7-fluoroisoquinolin-6-yl)methyl]-2-cyclopropyl-1-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]imidazole-4-carboxamide
CID 121366303
N-[(1-amino-7-methylisoquinolin-6-yl)methyl]-2-cyclopropyl-1-[[4-[(4-fluoropyrazol-1-yl)methyl]phenyl]methyl]imidazole-4-carboxamide
CID 121366387
N-[(1-amino-5-methoxyisoquinolin-6-yl)methyl]-2-cyclopropyl-1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]imidazole-4-carboxamide
CID 121366423
N-[(1-amino-5-methoxyisoquinolin-6-yl)methyl]-5-(methoxymethyl)-1-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]-1,2,4-triazole-3-carboxamide
CID 121366427
N-[(1-amino-7-methoxyisoquinolin-6-yl)methyl]-7-[(2-oxo-1,3-oxazolidin-3-yl)methyl]-5,10-dihydro-4H-imidazo[2,1-c][1,4]benzodiazepine-2-carboxamide
CID 156524101
N-[(2,5-dimethoxyphenyl)methyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 138994491
N-[(2,5-dimethoxyphenyl)methyl]-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
CID 20959370
N-[(1-amino-7-fluoroisoquinolin-6-yl)methyl]-1-[[2-(3,3-difluoropyrrolidin-1-yl)pyrimidin-5-yl]methyl]-5-methyl-1,2,4-triazole-3-carboxamide
CID 121366572
tert-butyl N-[(3S)-1-[(1-amino-6-methoxyisoquinolin-7-yl)methyl]-2-oxopyrrolidin-3-yl]carbamate
CID 54551007
N-[(1-amino-5-methoxyisoquinolin-6-yl)methyl]-5-methyl-1-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]-1,2,4-triazole-3-carboxamide
CID 121366522
1-(cyclopropylmethyl)-N-[(2-methoxyphenyl)methyl]-4-(2-pyrrolidin-1-ylpyrimidin-5-yl)pyrrole-2-carboxamide;2,2,2-trifluoroacetic acid
CID 155833214
N-[(4-methoxyphenyl)methyl]-2-piperidin-1-ylpyrimidine-4-carboxamide
CID 109298248

Frequently Asked Questions

What is the IUPAC name of N-[(1-amino-7-methoxyisoquinolin-6-yl)methyl]-2-cyclopropyl-1-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]imidazole-4-carboxamide?
The IUPAC name of N-[(1-amino-7-methoxyisoquinolin-6-yl)methyl]-2-cyclopropyl-1-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]imidazole-4-carboxamide (CID 121366593) is N-[(1-amino-7-methoxyisoquinolin-6-yl)methyl]-2-cyclopropyl-1-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]imidazole-4-carboxamide.
What is the SMILES notation for N-[(1-amino-7-methoxyisoquinolin-6-yl)methyl]-2-cyclopropyl-1-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]imidazole-4-carboxamide?
The canonical SMILES for N-[(1-amino-7-methoxyisoquinolin-6-yl)methyl]-2-cyclopropyl-1-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]imidazole-4-carboxamide is COc1cc2c(N)nccc2cc1CNC(=O)c1cn(Cc2cnc(N3CCCC3)nc2)c(C2CC2)n1.
What is the InChIKey of N-[(1-amino-7-methoxyisoquinolin-6-yl)methyl]-2-cyclopropyl-1-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]imidazole-4-carboxamide?
The InChIKey is KGUDRYLBGVIKBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N8O2/c1-37-23-11-21-19(6-7-29-24(21)28)10-20(23)14-30-26(36)22-16-35(25(33-22)18-4-5-18)15-17-12-31-27(32-13-17)34-8-2-3-9-34/h6-7,10-13,16,18H,2-5,8-9,14-15H2,1H3,(H2,28,29)(H,30,36).
What are the key properties of N-[(1-amino-7-methoxyisoquinolin-6-yl)methyl]-2-cyclopropyl-1-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]imidazole-4-carboxamide?
N-[(1-amino-7-methoxyisoquinolin-6-yl)methyl]-2-cyclopropyl-1-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]imidazole-4-carboxamide has a molecular weight of 498.59 g/mol, XLogP of 3.27, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-amino-7-methoxyisoquinolin-6-yl)methyl]-2-cyclopropyl-1-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]imidazole-4-carboxamide is sourced from PubChem (CID 121366593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).