N-[(1-amino-5-methoxyisoquinolin-6-yl)methyl]-2-cyclopropyl-1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]imidazole-4-carboxamide

C29H29N7O2 — CID 121366423

IUPACN-[(1-amino-5-methoxyisoquinolin-6-yl)methyl]-2-cyclopropyl-1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]imidazole-4-carboxamide
SMILESCOc1c(CNC(=O)c2cn(Cc3ccc(Cn4cccn4)cc3)c(C3CC3)n2)ccc2c(N)nccc12
InChIInChI=1S/C29H29N7O2/c1-38-26-22(9-10-24-23(26)11-13-31-27(24)30)15-32-29(37)25-18-35(28(34-25)21-7-8-21)16-19-3-5-20(6-4-19)17-36-14-2-12-33-36/h2-6,9-14,18,21H,7-8,15-17H2,1H3,(H2,30,31)(H,32,37)
InChIKeyNZRPIMKREJVWEL-UHFFFAOYSA-N
MW507.60 g/mol
LogP4.12
Rot. Bonds9

About N-[(1-amino-5-methoxyisoquinolin-6-yl)methyl]-2-cyclopropyl-1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]imidazole-4-carboxamide

N-[(1-amino-5-methoxyisoquinolin-6-yl)methyl]-2-cyclopropyl-1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]imidazole-4-carboxamide (PubChem CID 121366423) has the molecular formula C29H29N7O2 and a molecular weight of 507.60 g/mol. Its IUPAC name is N-[(1-amino-5-methoxyisoquinolin-6-yl)methyl]-2-cyclopropyl-1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]imidazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1-amino-5-methoxyisoquinolin-6-yl)methyl]-2-cyclopropyl-1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]imidazole-4-carboxamide
PubChem CID121366423
Molecular FormulaC29H29N7O2
Molecular Weight507.60 g/mol
Exact Mass507.24
IUPAC NameN-[(1-amino-5-methoxyisoquinolin-6-yl)methyl]-2-cyclopropyl-1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]imidazole-4-carboxamide
SMILESCOc1c(CNC(=O)c2cn(Cc3ccc(Cn4cccn4)cc3)c(C3CC3)n2)ccc2c(N)nccc12
InChIInChI=1S/C29H29N7O2/c1-38-26-22(9-10-24-23(26)11-13-31-27(24)30)15-32-29(37)25-18-35(28(34-25)21-7-8-21)16-19-3-5-20(6-4-19)17-36-14-2-12-33-36/h2-6,9-14,18,21H,7-8,15-17H2,1H3,(H2,30,31)(H,32,37)
InChIKeyNZRPIMKREJVWEL-UHFFFAOYSA-N
XLogP4.12
TPSA112.88 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.60
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[(1-amino-5-methoxyisoquinolin-6-yl)methyl]-2-cyclopropyl-1-[[4-(pyrazol-1-ylmethyl)phenyl]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-5-methoxyisoquinolin-6-yl)methyl]-3-(methoxymethyl)-1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide
CID 121366597
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-7-methoxyisoquinolin-6-yl)methyl]-2-cyclopropyl-1-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]imidazole-4-carboxamide
CID 121366593
N-[(1-amino-5-methylisoquinolin-6-yl)methyl]-5-methyl-1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]-1,2,4-triazole-3-carboxamide
CID 121366342
N-[(1-amino-7-fluoroisoquinolin-6-yl)methyl]-2-cyclopropyl-1-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]imidazole-4-carboxamide
CID 121366303
N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]-2-(2,3,4-trimethoxyphenyl)acetamide
CID 25404296
N-[(1-amino-7-methylisoquinolin-6-yl)methyl]-5-methyl-1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]-1,2,4-triazole-3-carboxamide
CID 121366335
N-[(1-amino-5-methylisoquinolin-6-yl)methyl]-3-(methoxymethyl)-1-[[4-[(4-methylpyrazol-1-yl)methyl]phenyl]methyl]pyrazole-4-carboxamide
CID 121366358
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
N-[(1-amino-5-fluoroisoquinolin-6-yl)methyl]-1-[[4-[(4-fluoropyrazol-1-yl)methyl]phenyl]methyl]-3-(methoxymethyl)pyrazole-4-carboxamide
CID 121366256
N-[(1-amino-5-methylisoquinolin-6-yl)methyl]-1-[[4-[(4-fluoropyrazol-1-yl)methyl]phenyl]methyl]-5-(methoxymethyl)-1,2,4-triazole-3-carboxamide
CID 121366456
N-[(1-amino-5-fluoroisoquinolin-6-yl)methyl]-5-(methoxymethyl)-1-[[4-[(4-methylpyrazol-1-yl)methyl]phenyl]methyl]-1,2,4-triazole-3-carboxamide
CID 121366302

Frequently Asked Questions

What is the IUPAC name of N-[(1-amino-5-methoxyisoquinolin-6-yl)methyl]-2-cyclopropyl-1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]imidazole-4-carboxamide?
The IUPAC name of N-[(1-amino-5-methoxyisoquinolin-6-yl)methyl]-2-cyclopropyl-1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]imidazole-4-carboxamide (CID 121366423) is N-[(1-amino-5-methoxyisoquinolin-6-yl)methyl]-2-cyclopropyl-1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]imidazole-4-carboxamide.
What is the SMILES notation for N-[(1-amino-5-methoxyisoquinolin-6-yl)methyl]-2-cyclopropyl-1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]imidazole-4-carboxamide?
The canonical SMILES for N-[(1-amino-5-methoxyisoquinolin-6-yl)methyl]-2-cyclopropyl-1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]imidazole-4-carboxamide is COc1c(CNC(=O)c2cn(Cc3ccc(Cn4cccn4)cc3)c(C3CC3)n2)ccc2c(N)nccc12.
What is the InChIKey of N-[(1-amino-5-methoxyisoquinolin-6-yl)methyl]-2-cyclopropyl-1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]imidazole-4-carboxamide?
The InChIKey is NZRPIMKREJVWEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N7O2/c1-38-26-22(9-10-24-23(26)11-13-31-27(24)30)15-32-29(37)25-18-35(28(34-25)21-7-8-21)16-19-3-5-20(6-4-19)17-36-14-2-12-33-36/h2-6,9-14,18,21H,7-8,15-17H2,1H3,(H2,30,31)(H,32,37).
What are the key properties of N-[(1-amino-5-methoxyisoquinolin-6-yl)methyl]-2-cyclopropyl-1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]imidazole-4-carboxamide?
N-[(1-amino-5-methoxyisoquinolin-6-yl)methyl]-2-cyclopropyl-1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]imidazole-4-carboxamide has a molecular weight of 507.60 g/mol, XLogP of 4.12, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-amino-5-methoxyisoquinolin-6-yl)methyl]-2-cyclopropyl-1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]imidazole-4-carboxamide is sourced from PubChem (CID 121366423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).