1-cyclopropyl-3-[[4-(4-hydroxybutyl)-8-methylisoquinolin-3-yl]methyl]imidazo[4,5-c]pyridin-2-one

C24H26N4O2 — CID 126545045

IUPAC1-cyclopropyl-3-[[4-(4-hydroxybutyl)-8-methylisoquinolin-3-yl]methyl]imidazo[4,5-c]pyridin-2-one
SMILESCc1cccc2c(CCCCO)c(Cn3c(=O)n(C4CC4)c4ccncc43)ncc12
InChIInChI=1S/C24H26N4O2/c1-16-5-4-7-18-19(6-2-3-12-29)21(26-13-20(16)18)15-27-23-14-25-11-10-22(23)28(24(27)30)17-8-9-17/h4-5,7,10-11,13-14,17,29H,2-3,6,8-9,12,15H2,1H3
InChIKeyNPHBBEIJJHGNSP-UHFFFAOYSA-N
MW402.50 g/mol
LogP3.75
Rot. Bonds7

About 1-cyclopropyl-3-[[4-(4-hydroxybutyl)-8-methylisoquinolin-3-yl]methyl]imidazo[4,5-c]pyridin-2-one

1-cyclopropyl-3-[[4-(4-hydroxybutyl)-8-methylisoquinolin-3-yl]methyl]imidazo[4,5-c]pyridin-2-one (PubChem CID 126545045) has the molecular formula C24H26N4O2 and a molecular weight of 402.50 g/mol. Its IUPAC name is 1-cyclopropyl-3-[[4-(4-hydroxybutyl)-8-methylisoquinolin-3-yl]methyl]imidazo[4,5-c]pyridin-2-one.

Molecular Properties

Compound Name1-cyclopropyl-3-[[4-(4-hydroxybutyl)-8-methylisoquinolin-3-yl]methyl]imidazo[4,5-c]pyridin-2-one
PubChem CID126545045
Molecular FormulaC24H26N4O2
Molecular Weight402.50 g/mol
Exact Mass402.21
IUPAC Name1-cyclopropyl-3-[[4-(4-hydroxybutyl)-8-methylisoquinolin-3-yl]methyl]imidazo[4,5-c]pyridin-2-one
SMILESCc1cccc2c(CCCCO)c(Cn3c(=O)n(C4CC4)c4ccncc43)ncc12
InChIInChI=1S/C24H26N4O2/c1-16-5-4-7-18-19(6-2-3-12-29)21(26-13-20(16)18)15-27-23-14-25-11-10-22(23)28(24(27)30)17-8-9-17/h4-5,7,10-11,13-14,17,29H,2-3,6,8-9,12,15H2,1H3
InChIKeyNPHBBEIJJHGNSP-UHFFFAOYSA-N
XLogP3.75
TPSA72.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-cyclopropyl-3-[[4-(4-hydroxybutyl)-8-methylisoquinolin-3-yl]methyl]imidazo[4,5-c]pyridin-2-one 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

methyl 4-[3-[[5-fluoro-4-(4-hydroxybutyl)isoquinolin-3-yl]methyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]piperidine-1-carboxylate
CID 137371308
[1-[3-[(1-cyclopropyl-2-oxoimidazo[4,5-c]pyridin-3-yl)methyl]-4-(4-hydroxybutyl)isoquinolin-7-yl]pyrrolidin-3-yl]carbamic acid
CID 137371234
1-cyclopropyl-3-[[3-(4-hydroxybutyl)imidazo[1,2-a]pyrazin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one
CID 57410250
3-[[3,7-bis(4-hydroxybutyl)imidazo[1,2-a]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one
CID 57410246
4-[3-[(1-cyclopropyl-2-oxoimidazo[4,5-c]pyridin-3-yl)methyl]-7-[(4-methylpiperazin-1-yl)methyl]isoquinolin-4-yl]butyl acetate
CID 137371174
1-cyclopropyl-3-[[1-(5-hydroxypentyl)benzimidazol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one
CID 18334827
4-[5,6-difluoro-3-[[4-(4-hydroxybutyl)isoquinolin-3-yl]methyl]-2-oxobenzimidazol-1-yl]piperidine-1-carboxylic acid
CID 146590421
[3-[[1-(oxetan-3-yl)-2-oxoimidazo[4,5-c]pyridin-3-yl]methyl]isoquinolin-4-yl]phosphinous acid
CID 145239987
3-[(4-bromoisoquinolin-3-yl)methyl]-1-(1-ethylpiperidin-4-yl)imidazo[4,5-c]pyridin-2-one
CID 163900066
1-cyclopropyl-3-[(3-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]imidazo[4,5-c]pyridin-2-one
CID 67987627
2-[(1-cyclopropyl-2-oxoimidazo[4,5-c]pyridin-3-yl)methyl]-1-(6-hydroxyhexyl)benzimidazole-5-carbonitrile
CID 22349293
1-cyclopropyl-3-[[4-[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]quinazolin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one
CID 130230374

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[[4-(4-hydroxybutyl)-8-methylisoquinolin-3-yl]methyl]imidazo[4,5-c]pyridin-2-one?
The IUPAC name of 1-cyclopropyl-3-[[4-(4-hydroxybutyl)-8-methylisoquinolin-3-yl]methyl]imidazo[4,5-c]pyridin-2-one (CID 126545045) is 1-cyclopropyl-3-[[4-(4-hydroxybutyl)-8-methylisoquinolin-3-yl]methyl]imidazo[4,5-c]pyridin-2-one.
What is the SMILES notation for 1-cyclopropyl-3-[[4-(4-hydroxybutyl)-8-methylisoquinolin-3-yl]methyl]imidazo[4,5-c]pyridin-2-one?
The canonical SMILES for 1-cyclopropyl-3-[[4-(4-hydroxybutyl)-8-methylisoquinolin-3-yl]methyl]imidazo[4,5-c]pyridin-2-one is Cc1cccc2c(CCCCO)c(Cn3c(=O)n(C4CC4)c4ccncc43)ncc12.
What is the InChIKey of 1-cyclopropyl-3-[[4-(4-hydroxybutyl)-8-methylisoquinolin-3-yl]methyl]imidazo[4,5-c]pyridin-2-one?
The InChIKey is NPHBBEIJJHGNSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2/c1-16-5-4-7-18-19(6-2-3-12-29)21(26-13-20(16)18)15-27-23-14-25-11-10-22(23)28(24(27)30)17-8-9-17/h4-5,7,10-11,13-14,17,29H,2-3,6,8-9,12,15H2,1H3.
What are the key properties of 1-cyclopropyl-3-[[4-(4-hydroxybutyl)-8-methylisoquinolin-3-yl]methyl]imidazo[4,5-c]pyridin-2-one?
1-cyclopropyl-3-[[4-(4-hydroxybutyl)-8-methylisoquinolin-3-yl]methyl]imidazo[4,5-c]pyridin-2-one has a molecular weight of 402.50 g/mol, XLogP of 3.75, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[[4-(4-hydroxybutyl)-8-methylisoquinolin-3-yl]methyl]imidazo[4,5-c]pyridin-2-one is sourced from PubChem (CID 126545045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).