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

C23H23F3N4O — CID 135945388

IUPAC2-propyl-6-[[6-[2-(trifluoromethyl)phenyl]-3-pyridinyl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCCCc1nc2c(c(=O)[nH]1)CN(Cc1ccc(-c3ccccc3C(F)(F)F)nc1)CC2
InChIInChI=1S/C23H23F3N4O/c1-2-5-21-28-20-10-11-30(14-17(20)22(31)29-21)13-15-8-9-19(27-12-15)16-6-3-4-7-18(16)23(24,25)26/h3-4,6-9,12H,2,5,10-11,13-14H2,1H3,(H,28,29,31)
InChIKeySZAMCEPJPQLPRW-UHFFFAOYSA-N
MW428.46 g/mol
LogP4.36
Rot. Bonds5

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

2-propyl-6-[[6-[2-(trifluoromethyl)phenyl]-3-pyridinyl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 135945388) has the molecular formula C23H23F3N4O and a molecular weight of 428.46 g/mol. Its IUPAC name is 2-propyl-6-[[6-[2-(trifluoromethyl)phenyl]-3-pyridinyl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-propyl-6-[[6-[2-(trifluoromethyl)phenyl]-3-pyridinyl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
PubChem CID135945388
Molecular FormulaC23H23F3N4O
Molecular Weight428.46 g/mol
Exact Mass428.18
IUPAC Name2-propyl-6-[[6-[2-(trifluoromethyl)phenyl]-3-pyridinyl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCCCc1nc2c(c(=O)[nH]1)CN(Cc1ccc(-c3ccccc3C(F)(F)F)nc1)CC2
InChIInChI=1S/C23H23F3N4O/c1-2-5-21-28-20-10-11-30(14-17(20)22(31)29-21)13-15-8-9-19(27-12-15)16-6-3-4-7-18(16)23(24,25)26/h3-4,6-9,12H,2,5,10-11,13-14H2,1H3,(H,28,29,31)
InChIKeySZAMCEPJPQLPRW-UHFFFAOYSA-N
XLogP4.36
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.46
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[[6-(2,3-dimethylphenyl)-3-pyridinyl]methyl]-2-propyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135945848
2-(4-chlorophenyl)-6-[[6-[2-(trifluoromethyl)phenyl]-3-pyridinyl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135945396
6-[[6-(3-chlorophenyl)-3-pyridinyl]methyl]-2-propyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135945548
6-[(6-chloro-3-pyridinyl)methyl]-2-propyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135944528
6-[[6-(4-ethylsulfanylphenyl)-3-pyridinyl]methyl]-2-propyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135945708
6-[(6-piperidin-1-yl-3-pyridinyl)methyl]-2-propyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135946068
6-[(6-fluoro-5-methyl-3-pyridinyl)methyl]-2-propyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135947168
6-[(6-cyclopentyloxy-3-pyridinyl)methyl]-2-propyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135947721
2-propyl-6-[(4-pyrrolidin-1-ylphenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135919272
2-amino-6-[[6-(2-chlorophenyl)-3-pyridinyl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135945525
6-[(1-benzylpyrazol-4-yl)methyl]-2-propyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135943728
6-[(1-methylpyrazol-4-yl)methyl]-2-propyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135942510

Frequently Asked Questions

What is the IUPAC name of 2-propyl-6-[[6-[2-(trifluoromethyl)phenyl]-3-pyridinyl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 2-propyl-6-[[6-[2-(trifluoromethyl)phenyl]-3-pyridinyl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 135945388) is 2-propyl-6-[[6-[2-(trifluoromethyl)phenyl]-3-pyridinyl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-propyl-6-[[6-[2-(trifluoromethyl)phenyl]-3-pyridinyl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 2-propyl-6-[[6-[2-(trifluoromethyl)phenyl]-3-pyridinyl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is CCCc1nc2c(c(=O)[nH]1)CN(Cc1ccc(-c3ccccc3C(F)(F)F)nc1)CC2.
What is the InChIKey of 2-propyl-6-[[6-[2-(trifluoromethyl)phenyl]-3-pyridinyl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The InChIKey is SZAMCEPJPQLPRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F3N4O/c1-2-5-21-28-20-10-11-30(14-17(20)22(31)29-21)13-15-8-9-19(27-12-15)16-6-3-4-7-18(16)23(24,25)26/h3-4,6-9,12H,2,5,10-11,13-14H2,1H3,(H,28,29,31).
What are the key properties of 2-propyl-6-[[6-[2-(trifluoromethyl)phenyl]-3-pyridinyl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
2-propyl-6-[[6-[2-(trifluoromethyl)phenyl]-3-pyridinyl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 428.46 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-6-[[6-[2-(trifluoromethyl)phenyl]-3-pyridinyl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 135945388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).