2-(cyclopropylmethyl)-7-[(2,3-difluorophenyl)methyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one

C18H19F2N3O — CID 135920416

IUPAC2-(cyclopropylmethyl)-7-[(2,3-difluorophenyl)methyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESO=c1[nH]c(CC2CC2)nc2c1CCN(Cc1cccc(F)c1F)C2
InChIInChI=1S/C18H19F2N3O/c19-14-3-1-2-12(17(14)20)9-23-7-6-13-15(10-23)21-16(22-18(13)24)8-11-4-5-11/h1-3,11H,4-10H2,(H,21,22,24)
InChIKeyOMZQQQOWHLBTEA-UHFFFAOYSA-N
MW331.37 g/mol
LogP2.56
Rot. Bonds4

About 2-(cyclopropylmethyl)-7-[(2,3-difluorophenyl)methyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one

2-(cyclopropylmethyl)-7-[(2,3-difluorophenyl)methyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (PubChem CID 135920416) has the molecular formula C18H19F2N3O and a molecular weight of 331.37 g/mol. Its IUPAC name is 2-(cyclopropylmethyl)-7-[(2,3-difluorophenyl)methyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(cyclopropylmethyl)-7-[(2,3-difluorophenyl)methyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
PubChem CID135920416
Molecular FormulaC18H19F2N3O
Molecular Weight331.37 g/mol
Exact Mass331.15
IUPAC Name2-(cyclopropylmethyl)-7-[(2,3-difluorophenyl)methyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESO=c1[nH]c(CC2CC2)nc2c1CCN(Cc1cccc(F)c1F)C2
InChIInChI=1S/C18H19F2N3O/c19-14-3-1-2-12(17(14)20)9-23-7-6-13-15(10-23)21-16(22-18(13)24)8-11-4-5-11/h1-3,11H,4-10H2,(H,21,22,24)
InChIKeyOMZQQQOWHLBTEA-UHFFFAOYSA-N
XLogP2.56
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(cyclopropylmethyl)-7-[(2,3-difluorophenyl)methyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-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

2-(cyclopropylmethyl)-7-[(2,3,4-trifluorophenyl)methyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135920276
7-[(2-bromophenyl)methyl]-2-(cyclopropylmethyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135864110
2-(cyclopropylmethyl)-7-[[2-(trifluoromethoxy)phenyl]methyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135864909
2-(cyclopropylmethyl)-7-(pyridin-2-ylmethyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135867230
7-[(2,3-difluorophenyl)methyl]-2-pyridin-3-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135920415
7-[(2,3-difluorophenyl)methyl]-2-(5-methylpyrazin-2-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136763495
2-(cyclopropylmethyl)-7-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135865707
2-cyclohexyl-7-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135864500
7-[(3-fluoro-2-methylphenyl)methyl]-2-propan-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135865621
7-[(2-fluorophenyl)methyl]-2-methylsulfonyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135864654
7-[(3-fluoro-2-hydroxyphenyl)methyl]-2-methylsulfonyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135865731
7-[(3-fluoro-2-hydroxyphenyl)methyl]-2-(4-methylphenyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135865749

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethyl)-7-[(2,3-difluorophenyl)methyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 2-(cyclopropylmethyl)-7-[(2,3-difluorophenyl)methyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (CID 135920416) is 2-(cyclopropylmethyl)-7-[(2,3-difluorophenyl)methyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 2-(cyclopropylmethyl)-7-[(2,3-difluorophenyl)methyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 2-(cyclopropylmethyl)-7-[(2,3-difluorophenyl)methyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is O=c1[nH]c(CC2CC2)nc2c1CCN(Cc1cccc(F)c1F)C2.
What is the InChIKey of 2-(cyclopropylmethyl)-7-[(2,3-difluorophenyl)methyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The InChIKey is OMZQQQOWHLBTEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2N3O/c19-14-3-1-2-12(17(14)20)9-23-7-6-13-15(10-23)21-16(22-18(13)24)8-11-4-5-11/h1-3,11H,4-10H2,(H,21,22,24).
What are the key properties of 2-(cyclopropylmethyl)-7-[(2,3-difluorophenyl)methyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
2-(cyclopropylmethyl)-7-[(2,3-difluorophenyl)methyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one has a molecular weight of 331.37 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethyl)-7-[(2,3-difluorophenyl)methyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 135920416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).