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

C20H17F3N4O2 — CID 136681023

IUPAC2-pyridin-2-yl-7-[[4-(trifluoromethoxy)phenyl]methyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESO=c1[nH]c(-c2ccccn2)nc2c1CCN(Cc1ccc(OC(F)(F)F)cc1)C2
InChIInChI=1S/C20H17F3N4O2/c21-20(22,23)29-14-6-4-13(5-7-14)11-27-10-8-15-17(12-27)25-18(26-19(15)28)16-3-1-2-9-24-16/h1-7,9H,8,10-12H2,(H,25,26,28)
InChIKeyBNRWZLFLTTXCSR-UHFFFAOYSA-N
MW402.38 g/mol
LogP3.29
Rot. Bonds4

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

2-pyridin-2-yl-7-[[4-(trifluoromethoxy)phenyl]methyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (PubChem CID 136681023) has the molecular formula C20H17F3N4O2 and a molecular weight of 402.38 g/mol. Its IUPAC name is 2-pyridin-2-yl-7-[[4-(trifluoromethoxy)phenyl]methyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-pyridin-2-yl-7-[[4-(trifluoromethoxy)phenyl]methyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
PubChem CID136681023
Molecular FormulaC20H17F3N4O2
Molecular Weight402.38 g/mol
Exact Mass402.13
IUPAC Name2-pyridin-2-yl-7-[[4-(trifluoromethoxy)phenyl]methyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESO=c1[nH]c(-c2ccccn2)nc2c1CCN(Cc1ccc(OC(F)(F)F)cc1)C2
InChIInChI=1S/C20H17F3N4O2/c21-20(22,23)29-14-6-4-13(5-7-14)11-27-10-8-15-17(12-27)25-18(26-19(15)28)16-3-1-2-9-24-16/h1-7,9H,8,10-12H2,(H,25,26,28)
InChIKeyBNRWZLFLTTXCSR-UHFFFAOYSA-N
XLogP3.29
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.38
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-[(3-fluoro-4-methylphenyl)methyl]-2-pyridin-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135865688
7-[(3-chloro-4-methylphenyl)methyl]-2-pyridin-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135865469
7-[(3-chloro-4-methoxyphenyl)methyl]-2-pyridin-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135865449
7-[(2,6-dimethylphenyl)methyl]-2-pyridin-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135864071
7-[(2,5-difluorophenyl)methyl]-2-pyridin-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135863851
2-(4-chlorophenyl)-6-[[4-(trifluoromethoxy)phenyl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135920157
7-[(5-phenyl-2H-triazol-4-yl)methyl]-2-pyridin-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136681077
2-(4-aminophenyl)-6-[[4-(trifluoromethoxy)phenyl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135920154
(2-pyridin-2-yl-3H-benzimidazol-5-yl)-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]methanone
CID 134346209
2-pyridin-2-yl-7-[[2-(trifluoromethyl)phenyl]methyl]-5,6,8,9-tetrahydro-3H-pyrimido[4,5-d]azepin-4-one
CID 136681967
7-[(6-methoxy-1H-indol-3-yl)methyl]-2-pyridin-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136681074
7-[(1-ethyl-5-methoxyindol-3-yl)methyl]-2-pyridin-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136681091

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-2-yl-7-[[4-(trifluoromethoxy)phenyl]methyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 2-pyridin-2-yl-7-[[4-(trifluoromethoxy)phenyl]methyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (CID 136681023) is 2-pyridin-2-yl-7-[[4-(trifluoromethoxy)phenyl]methyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 2-pyridin-2-yl-7-[[4-(trifluoromethoxy)phenyl]methyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 2-pyridin-2-yl-7-[[4-(trifluoromethoxy)phenyl]methyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is O=c1[nH]c(-c2ccccn2)nc2c1CCN(Cc1ccc(OC(F)(F)F)cc1)C2.
What is the InChIKey of 2-pyridin-2-yl-7-[[4-(trifluoromethoxy)phenyl]methyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The InChIKey is BNRWZLFLTTXCSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N4O2/c21-20(22,23)29-14-6-4-13(5-7-14)11-27-10-8-15-17(12-27)25-18(26-19(15)28)16-3-1-2-9-24-16/h1-7,9H,8,10-12H2,(H,25,26,28).
What are the key properties of 2-pyridin-2-yl-7-[[4-(trifluoromethoxy)phenyl]methyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
2-pyridin-2-yl-7-[[4-(trifluoromethoxy)phenyl]methyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one has a molecular weight of 402.38 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-2-yl-7-[[4-(trifluoromethoxy)phenyl]methyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 136681023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).