5-[1-[[2-(difluoromethoxy)phenyl]methyl]-2-(hydroxymethyl)imidazo[4,5-c]pyridin-6-yl]-1H-pyrimidin-2-one

C19H15F2N5O3 — CID 129186896

IUPAC5-[1-[[2-(difluoromethoxy)phenyl]methyl]-2-(hydroxymethyl)imidazo[4,5-c]pyridin-6-yl]-1H-pyrimidin-2-one
SMILESO=c1ncc(-c2cc3c(cn2)nc(CO)n3Cc2ccccc2OC(F)F)c[nH]1
InChIInChI=1S/C19H15F2N5O3/c20-18(21)29-16-4-2-1-3-11(16)9-26-15-5-13(12-6-23-19(28)24-7-12)22-8-14(15)25-17(26)10-27/h1-8,18,27H,9-10H2,(H,23,24,28)
InChIKeyQJNSODQEDSGJFK-UHFFFAOYSA-N
MW399.36 g/mol
LogP2.32
Rot. Bonds6

About 5-[1-[[2-(difluoromethoxy)phenyl]methyl]-2-(hydroxymethyl)imidazo[4,5-c]pyridin-6-yl]-1H-pyrimidin-2-one

5-[1-[[2-(difluoromethoxy)phenyl]methyl]-2-(hydroxymethyl)imidazo[4,5-c]pyridin-6-yl]-1H-pyrimidin-2-one (PubChem CID 129186896) has the molecular formula C19H15F2N5O3 and a molecular weight of 399.36 g/mol. Its IUPAC name is 5-[1-[[2-(difluoromethoxy)phenyl]methyl]-2-(hydroxymethyl)imidazo[4,5-c]pyridin-6-yl]-1H-pyrimidin-2-one.

Molecular Properties

Compound Name5-[1-[[2-(difluoromethoxy)phenyl]methyl]-2-(hydroxymethyl)imidazo[4,5-c]pyridin-6-yl]-1H-pyrimidin-2-one
PubChem CID129186896
Molecular FormulaC19H15F2N5O3
Molecular Weight399.36 g/mol
Exact Mass399.11
IUPAC Name5-[1-[[2-(difluoromethoxy)phenyl]methyl]-2-(hydroxymethyl)imidazo[4,5-c]pyridin-6-yl]-1H-pyrimidin-2-one
SMILESO=c1ncc(-c2cc3c(cn2)nc(CO)n3Cc2ccccc2OC(F)F)c[nH]1
InChIInChI=1S/C19H15F2N5O3/c20-18(21)29-16-4-2-1-3-11(16)9-26-15-5-13(12-6-23-19(28)24-7-12)22-8-14(15)25-17(26)10-27/h1-8,18,27H,9-10H2,(H,23,24,28)
InChIKeyQJNSODQEDSGJFK-UHFFFAOYSA-N
XLogP2.32
TPSA105.92 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.36
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-[1-[[2-(difluoromethoxy)phenyl]methyl]-2-(hydroxymethyl)imidazo[4,5-c]pyridin-6-yl]-1H-pyrimidin-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

[1-[[2-(difluoromethoxy)phenyl]methyl]imidazo[4,5-c]pyridin-2-yl]methanol
CID 151496548
5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-(ethoxymethyl)benzimidazol-5-yl]-1H-pyridin-2-one
CID 72699393
5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-(2,2,2-trifluoroethyl)benzimidazol-5-yl]-1H-pyridin-2-one
CID 72699565
5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-(piperidin-1-ylmethyl)benzimidazol-5-yl]-1H-pyridin-2-one
CID 72699395
5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylbenzimidazol-5-yl]-1H-pyridin-2-one
CID 118108504
6-(6-chloro-3-pyridinyl)-1-[[2-(difluoromethoxy)phenyl]methyl]-2-(methoxymethyl)benzimidazole
CID 118108486
1-[[2-(dichloromethoxy)phenyl]methyl]-2-(hydroxymethyl)benzimidazole-5-carbonitrile
CID 141385654
6-bromo-1-[[2-(difluoromethoxy)phenyl]methyl]-5-fluoro-2-methylbenzimidazole
CID 118108433
2-[4-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylbenzimidazol-5-yl]-2-pyridinyl]piperazin-1-yl]acetic acid;hydrochloride
CID 118108581
(1R,11R)-18-(difluoromethoxy)-5-(2-oxo-1H-pyrimidin-5-yl)-2,9,12-triazapentacyclo[9.8.1.02,10.03,8.014,19]icosa-3(8),4,6,9,14(19),15,17-heptaen-13-one
CID 121256552
sodium 4-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-6-fluoro-2-methylbenzimidazol-5-yl]pyrimidin-2-yl]cyclohexane-1-carboxylate
CID 118108605
[1-[(2-fluorophenyl)methyl]-5-methylbenzimidazol-2-yl]methanol
CID 82333263

Frequently Asked Questions

What is the IUPAC name of 5-[1-[[2-(difluoromethoxy)phenyl]methyl]-2-(hydroxymethyl)imidazo[4,5-c]pyridin-6-yl]-1H-pyrimidin-2-one?
The IUPAC name of 5-[1-[[2-(difluoromethoxy)phenyl]methyl]-2-(hydroxymethyl)imidazo[4,5-c]pyridin-6-yl]-1H-pyrimidin-2-one (CID 129186896) is 5-[1-[[2-(difluoromethoxy)phenyl]methyl]-2-(hydroxymethyl)imidazo[4,5-c]pyridin-6-yl]-1H-pyrimidin-2-one.
What is the SMILES notation for 5-[1-[[2-(difluoromethoxy)phenyl]methyl]-2-(hydroxymethyl)imidazo[4,5-c]pyridin-6-yl]-1H-pyrimidin-2-one?
The canonical SMILES for 5-[1-[[2-(difluoromethoxy)phenyl]methyl]-2-(hydroxymethyl)imidazo[4,5-c]pyridin-6-yl]-1H-pyrimidin-2-one is O=c1ncc(-c2cc3c(cn2)nc(CO)n3Cc2ccccc2OC(F)F)c[nH]1.
What is the InChIKey of 5-[1-[[2-(difluoromethoxy)phenyl]methyl]-2-(hydroxymethyl)imidazo[4,5-c]pyridin-6-yl]-1H-pyrimidin-2-one?
The InChIKey is QJNSODQEDSGJFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2N5O3/c20-18(21)29-16-4-2-1-3-11(16)9-26-15-5-13(12-6-23-19(28)24-7-12)22-8-14(15)25-17(26)10-27/h1-8,18,27H,9-10H2,(H,23,24,28).
What are the key properties of 5-[1-[[2-(difluoromethoxy)phenyl]methyl]-2-(hydroxymethyl)imidazo[4,5-c]pyridin-6-yl]-1H-pyrimidin-2-one?
5-[1-[[2-(difluoromethoxy)phenyl]methyl]-2-(hydroxymethyl)imidazo[4,5-c]pyridin-6-yl]-1H-pyrimidin-2-one has a molecular weight of 399.36 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[[2-(difluoromethoxy)phenyl]methyl]-2-(hydroxymethyl)imidazo[4,5-c]pyridin-6-yl]-1H-pyrimidin-2-one is sourced from PubChem (CID 129186896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).