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

C21H19F2N3O2 — CID 135864387

IUPAC7-[[2-(difluoromethoxy)phenyl]methyl]-2-phenyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESO=c1[nH]c(-c2ccccc2)nc2c1CCN(Cc1ccccc1OC(F)F)C2
InChIInChI=1S/C21H19F2N3O2/c22-21(23)28-18-9-5-4-8-15(18)12-26-11-10-16-17(13-26)24-19(25-20(16)27)14-6-2-1-3-7-14/h1-9,21H,10-13H2,(H,24,25,27)
InChIKeyGMWIPURYAODPCX-UHFFFAOYSA-N
MW383.40 g/mol
LogP3.60
Rot. Bonds5

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

7-[[2-(difluoromethoxy)phenyl]methyl]-2-phenyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (PubChem CID 135864387) has the molecular formula C21H19F2N3O2 and a molecular weight of 383.40 g/mol. Its IUPAC name is 7-[[2-(difluoromethoxy)phenyl]methyl]-2-phenyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-[[2-(difluoromethoxy)phenyl]methyl]-2-phenyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
PubChem CID135864387
Molecular FormulaC21H19F2N3O2
Molecular Weight383.40 g/mol
Exact Mass383.14
IUPAC Name7-[[2-(difluoromethoxy)phenyl]methyl]-2-phenyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESO=c1[nH]c(-c2ccccc2)nc2c1CCN(Cc1ccccc1OC(F)F)C2
InChIInChI=1S/C21H19F2N3O2/c22-21(23)28-18-9-5-4-8-15(18)12-26-11-10-16-17(13-26)24-19(25-20(16)27)14-6-2-1-3-7-14/h1-9,21H,10-13H2,(H,24,25,27)
InChIKeyGMWIPURYAODPCX-UHFFFAOYSA-N
XLogP3.60
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.40
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7-[[2-(difluoromethoxy)phenyl]methyl]-2-phenyl-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-[2-(Trifluoromethoxy)phenyl]-6-(trifluoromethyl)pyrimidin-4-ol
CID 135419003
6-(Methoxymethyl)-2-[2-(trifluoromethoxy)phenyl]-4-pyrimidinol
CID 135444409
6-Methyl-2-[2-(trifluoromethoxy)phenyl]pyrimidin-4-ol
CID 135419018
7-[2-(3,4-Difluorophenoxy)acetyl]-2-(4-methoxyphenyl)-1H,4H,5H,6H,7H,8H-pyrido[3,4-D]pyrimidin-4-one
CID 136112276
6-Benzyl-2-[(2-methoxyphenyl)methylamino]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136362969
2-(4-isopropyl-6-oxopyrimidin-1(6H)-yl)-N-(2-(trifluoromethoxy)benzyl)acetamide
CID 49675572
2-[2-(4-fluorophenyl)-4-methyl-6-oxopyrimidin-1(6H)-yl]-N-(3-methoxybenzyl)acetamide
CID 49807268
2-(4-Fluorophenyl)-5-(2-hydroxyethyl)-3-[(2-methoxyphenyl)methyl]-6-methyl-3,4-dihydropyrimidin-4-one
CID 91912041
4-Hydroxy-6-(2-methoxyphenyl)-2-phenyl-5-pyrimidinecarbonitrile
CID 135472849
2-(4-fluorophenyl)-7-[3-(3-methoxyphenyl)propanoyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4(1H)-one
CID 136112244
2-[2-(difluoromethoxy)-6-methoxyphenyl]-5-(dipropylamino)-4-methyl-1H-pyrimidin-6-one
CID 136186042
7-(3-Fluoro-4-methylbenzoyl)-2-(4-methoxyphenyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136251462

Frequently Asked Questions

What is the IUPAC name of 7-[[2-(difluoromethoxy)phenyl]methyl]-2-phenyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 7-[[2-(difluoromethoxy)phenyl]methyl]-2-phenyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (CID 135864387) is 7-[[2-(difluoromethoxy)phenyl]methyl]-2-phenyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 7-[[2-(difluoromethoxy)phenyl]methyl]-2-phenyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 7-[[2-(difluoromethoxy)phenyl]methyl]-2-phenyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is O=c1[nH]c(-c2ccccc2)nc2c1CCN(Cc1ccccc1OC(F)F)C2.
What is the InChIKey of 7-[[2-(difluoromethoxy)phenyl]methyl]-2-phenyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The InChIKey is GMWIPURYAODPCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F2N3O2/c22-21(23)28-18-9-5-4-8-15(18)12-26-11-10-16-17(13-26)24-19(25-20(16)27)14-6-2-1-3-7-14/h1-9,21H,10-13H2,(H,24,25,27).
What are the key properties of 7-[[2-(difluoromethoxy)phenyl]methyl]-2-phenyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
7-[[2-(difluoromethoxy)phenyl]methyl]-2-phenyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one has a molecular weight of 383.40 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[2-(difluoromethoxy)phenyl]methyl]-2-phenyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 135864387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).