2-(3-methyl-2-pyridinyl)-3-[(2R)-1-phenylpropan-2-yl]-5-(trifluoromethyl)pyrido[4,3-d]pyrimidin-4-one

C23H19F3N4O — CID 45269367

IUPAC2-(3-methyl-2-pyridinyl)-3-[(2R)-1-phenylpropan-2-yl]-5-(trifluoromethyl)pyrido[4,3-d]pyrimidin-4-one
SMILESCc1cccnc1-c1nc2ccnc(C(F)(F)F)c2c(=O)n1[C@H](C)Cc1ccccc1
InChIInChI=1S/C23H19F3N4O/c1-14-7-6-11-27-19(14)21-29-17-10-12-28-20(23(24,25)26)18(17)22(31)30(21)15(2)13-16-8-4-3-5-9-16/h3-12,15H,13H2,1-2H3/t15-/m1/s1
InChIKeyQYVBJDVMKCSCNP-OAHLLOKOSA-N
MW424.43 g/mol
LogP4.98
Rot. Bonds4

About 2-(3-methyl-2-pyridinyl)-3-[(2R)-1-phenylpropan-2-yl]-5-(trifluoromethyl)pyrido[4,3-d]pyrimidin-4-one

2-(3-methyl-2-pyridinyl)-3-[(2R)-1-phenylpropan-2-yl]-5-(trifluoromethyl)pyrido[4,3-d]pyrimidin-4-one (PubChem CID 45269367) has the molecular formula C23H19F3N4O and a molecular weight of 424.43 g/mol. Its IUPAC name is 2-(3-methyl-2-pyridinyl)-3-[(2R)-1-phenylpropan-2-yl]-5-(trifluoromethyl)pyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(3-methyl-2-pyridinyl)-3-[(2R)-1-phenylpropan-2-yl]-5-(trifluoromethyl)pyrido[4,3-d]pyrimidin-4-one
PubChem CID45269367
Molecular FormulaC23H19F3N4O
Molecular Weight424.43 g/mol
Exact Mass424.15
IUPAC Name2-(3-methyl-2-pyridinyl)-3-[(2R)-1-phenylpropan-2-yl]-5-(trifluoromethyl)pyrido[4,3-d]pyrimidin-4-one
SMILESCc1cccnc1-c1nc2ccnc(C(F)(F)F)c2c(=O)n1[C@H](C)Cc1ccccc1
InChIInChI=1S/C23H19F3N4O/c1-14-7-6-11-27-19(14)21-29-17-10-12-28-20(23(24,25)26)18(17)22(31)30(21)15(2)13-16-8-4-3-5-9-16/h3-12,15H,13H2,1-2H3/t15-/m1/s1
InChIKeyQYVBJDVMKCSCNP-OAHLLOKOSA-N
XLogP4.98
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.43
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-2-pyridinyl)-3-[(2R)-1-phenylpropan-2-yl]-5-(trifluoromethyl)pyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 2-(3-methyl-2-pyridinyl)-3-[(2R)-1-phenylpropan-2-yl]-5-(trifluoromethyl)pyrido[4,3-d]pyrimidin-4-one (CID 45269367) is 2-(3-methyl-2-pyridinyl)-3-[(2R)-1-phenylpropan-2-yl]-5-(trifluoromethyl)pyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-(3-methyl-2-pyridinyl)-3-[(2R)-1-phenylpropan-2-yl]-5-(trifluoromethyl)pyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 2-(3-methyl-2-pyridinyl)-3-[(2R)-1-phenylpropan-2-yl]-5-(trifluoromethyl)pyrido[4,3-d]pyrimidin-4-one is Cc1cccnc1-c1nc2ccnc(C(F)(F)F)c2c(=O)n1[C@H](C)Cc1ccccc1.
What is the InChIKey of 2-(3-methyl-2-pyridinyl)-3-[(2R)-1-phenylpropan-2-yl]-5-(trifluoromethyl)pyrido[4,3-d]pyrimidin-4-one?
The InChIKey is QYVBJDVMKCSCNP-OAHLLOKOSA-N. The full InChI is InChI=1S/C23H19F3N4O/c1-14-7-6-11-27-19(14)21-29-17-10-12-28-20(23(24,25)26)18(17)22(31)30(21)15(2)13-16-8-4-3-5-9-16/h3-12,15H,13H2,1-2H3/t15-/m1/s1.
What are the key properties of 2-(3-methyl-2-pyridinyl)-3-[(2R)-1-phenylpropan-2-yl]-5-(trifluoromethyl)pyrido[4,3-d]pyrimidin-4-one?
2-(3-methyl-2-pyridinyl)-3-[(2R)-1-phenylpropan-2-yl]-5-(trifluoromethyl)pyrido[4,3-d]pyrimidin-4-one has a molecular weight of 424.43 g/mol, XLogP of 4.98, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-2-pyridinyl)-3-[(2R)-1-phenylpropan-2-yl]-5-(trifluoromethyl)pyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 45269367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).