[3-[[1-(oxetan-3-yl)-2-oxoimidazo[4,5-c]pyridin-3-yl]methyl]isoquinolin-4-yl]phosphinous acid

C19H17N4O3P — CID 145239987

IUPAC[3-[[1-(oxetan-3-yl)-2-oxoimidazo[4,5-c]pyridin-3-yl]methyl]isoquinolin-4-yl]phosphinous acid
SMILESO=c1n(Cc2ncc3ccccc3c2PO)c2cnccc2n1C1COC1
InChIInChI=1S/C19H17N4O3P/c24-19-22(17-8-20-6-5-16(17)23(19)13-10-26-11-13)9-15-18(27-25)14-4-2-1-3-12(14)7-21-15/h1-8,13,25,27H,9-11H2
InChIKeyREMUHYZYDHKRAT-UHFFFAOYSA-N
MW380.34 g/mol
LogP1.58
Rot. Bonds4

About [3-[[1-(oxetan-3-yl)-2-oxoimidazo[4,5-c]pyridin-3-yl]methyl]isoquinolin-4-yl]phosphinous acid

[3-[[1-(oxetan-3-yl)-2-oxoimidazo[4,5-c]pyridin-3-yl]methyl]isoquinolin-4-yl]phosphinous acid (PubChem CID 145239987) has the molecular formula C19H17N4O3P and a molecular weight of 380.34 g/mol. Its IUPAC name is [3-[[1-(oxetan-3-yl)-2-oxoimidazo[4,5-c]pyridin-3-yl]methyl]isoquinolin-4-yl]phosphinous acid.

Molecular Properties

Compound Name[3-[[1-(oxetan-3-yl)-2-oxoimidazo[4,5-c]pyridin-3-yl]methyl]isoquinolin-4-yl]phosphinous acid
PubChem CID145239987
Molecular FormulaC19H17N4O3P
Molecular Weight380.34 g/mol
Exact Mass380.10
IUPAC Name[3-[[1-(oxetan-3-yl)-2-oxoimidazo[4,5-c]pyridin-3-yl]methyl]isoquinolin-4-yl]phosphinous acid
SMILESO=c1n(Cc2ncc3ccccc3c2PO)c2cnccc2n1C1COC1
InChIInChI=1S/C19H17N4O3P/c24-19-22(17-8-20-6-5-16(17)23(19)13-10-26-11-13)9-15-18(27-25)14-4-2-1-3-12(14)7-21-15/h1-8,13,25,27H,9-11H2
InChIKeyREMUHYZYDHKRAT-UHFFFAOYSA-N
XLogP1.58
TPSA82.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.34
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-[(4-bromoisoquinolin-3-yl)methyl]-1-(1-ethylpiperidin-4-yl)imidazo[4,5-c]pyridin-2-one
CID 163900066
1-cyclopropyl-3-[[4-(4-hydroxybutyl)-8-methylisoquinolin-3-yl]methyl]imidazo[4,5-c]pyridin-2-one
CID 126545045
3-[[1-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]methyl]-1-(oxetan-3-yl)imidazo[4,5-c]pyridin-2-one
CID 57378766
1-cyclopropyl-3-[(3-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]imidazo[4,5-c]pyridin-2-one
CID 67987627
1-(1-methylcyclopropyl)-3-[(4-propylisoquinolin-3-yl)methyl]imidazo[4,5-c]pyridin-2-one
CID 145240015
1-cyclopropyl-3-[[4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one
CID 118058563
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-cyclopropyl-3-[[3-(4-hydroxybutyl)imidazo[1,2-a]pyrazin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one
CID 57410250
[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
3-[[8-chloro-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one
CID 118058564
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
4-[5,6-difluoro-3-[[4-(4-hydroxybutyl)isoquinolin-3-yl]methyl]-2-oxobenzimidazol-1-yl]piperidine-1-carboxylic acid
CID 146590421

Frequently Asked Questions

What is the IUPAC name of [3-[[1-(oxetan-3-yl)-2-oxoimidazo[4,5-c]pyridin-3-yl]methyl]isoquinolin-4-yl]phosphinous acid?
The IUPAC name of [3-[[1-(oxetan-3-yl)-2-oxoimidazo[4,5-c]pyridin-3-yl]methyl]isoquinolin-4-yl]phosphinous acid (CID 145239987) is [3-[[1-(oxetan-3-yl)-2-oxoimidazo[4,5-c]pyridin-3-yl]methyl]isoquinolin-4-yl]phosphinous acid.
What is the SMILES notation for [3-[[1-(oxetan-3-yl)-2-oxoimidazo[4,5-c]pyridin-3-yl]methyl]isoquinolin-4-yl]phosphinous acid?
The canonical SMILES for [3-[[1-(oxetan-3-yl)-2-oxoimidazo[4,5-c]pyridin-3-yl]methyl]isoquinolin-4-yl]phosphinous acid is O=c1n(Cc2ncc3ccccc3c2PO)c2cnccc2n1C1COC1.
What is the InChIKey of [3-[[1-(oxetan-3-yl)-2-oxoimidazo[4,5-c]pyridin-3-yl]methyl]isoquinolin-4-yl]phosphinous acid?
The InChIKey is REMUHYZYDHKRAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N4O3P/c24-19-22(17-8-20-6-5-16(17)23(19)13-10-26-11-13)9-15-18(27-25)14-4-2-1-3-12(14)7-21-15/h1-8,13,25,27H,9-11H2.
What are the key properties of [3-[[1-(oxetan-3-yl)-2-oxoimidazo[4,5-c]pyridin-3-yl]methyl]isoquinolin-4-yl]phosphinous acid?
[3-[[1-(oxetan-3-yl)-2-oxoimidazo[4,5-c]pyridin-3-yl]methyl]isoquinolin-4-yl]phosphinous acid has a molecular weight of 380.34 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[1-(oxetan-3-yl)-2-oxoimidazo[4,5-c]pyridin-3-yl]methyl]isoquinolin-4-yl]phosphinous acid is sourced from PubChem (CID 145239987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).