2-methyl-3-[(3S)-3-methylpiperidin-1-yl]-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one

C16H18F3N3O — CID 170172505

IUPAC2-methyl-3-[(3S)-3-methylpiperidin-1-yl]-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
SMILESCc1nc2c(C(F)(F)F)cccn2c(=O)c1N1CCC[C@H](C)C1
InChIInChI=1S/C16H18F3N3O/c1-10-5-3-7-21(9-10)13-11(2)20-14-12(16(17,18)19)6-4-8-22(14)15(13)23/h4,6,8,10H,3,5,7,9H2,1-2H3/t10-/m0/s1
InChIKeyZLHVBXQPQRIPKJ-JTQLQIEISA-N
MW325.33 g/mol
LogP3.26
Rot. Bonds1

About 2-methyl-3-[(3S)-3-methylpiperidin-1-yl]-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one

2-methyl-3-[(3S)-3-methylpiperidin-1-yl]-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 170172505) has the molecular formula C16H18F3N3O and a molecular weight of 325.33 g/mol. Its IUPAC name is 2-methyl-3-[(3S)-3-methylpiperidin-1-yl]-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-methyl-3-[(3S)-3-methylpiperidin-1-yl]-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
PubChem CID170172505
Molecular FormulaC16H18F3N3O
Molecular Weight325.33 g/mol
Exact Mass325.14
IUPAC Name2-methyl-3-[(3S)-3-methylpiperidin-1-yl]-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
SMILESCc1nc2c(C(F)(F)F)cccn2c(=O)c1N1CCC[C@H](C)C1
InChIInChI=1S/C16H18F3N3O/c1-10-5-3-7-21(9-10)13-11(2)20-14-12(16(17,18)19)6-4-8-22(14)15(13)23/h4,6,8,10H,3,5,7,9H2,1-2H3/t10-/m0/s1
InChIKeyZLHVBXQPQRIPKJ-JTQLQIEISA-N
XLogP3.26
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.33
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(3S)-3-methylpiperidin-1-yl]-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-methyl-3-[(3S)-3-methylpiperidin-1-yl]-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one (CID 170172505) is 2-methyl-3-[(3S)-3-methylpiperidin-1-yl]-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-methyl-3-[(3S)-3-methylpiperidin-1-yl]-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-methyl-3-[(3S)-3-methylpiperidin-1-yl]-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one is Cc1nc2c(C(F)(F)F)cccn2c(=O)c1N1CCC[C@H](C)C1.
What is the InChIKey of 2-methyl-3-[(3S)-3-methylpiperidin-1-yl]-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is ZLHVBXQPQRIPKJ-JTQLQIEISA-N. The full InChI is InChI=1S/C16H18F3N3O/c1-10-5-3-7-21(9-10)13-11(2)20-14-12(16(17,18)19)6-4-8-22(14)15(13)23/h4,6,8,10H,3,5,7,9H2,1-2H3/t10-/m0/s1.
What are the key properties of 2-methyl-3-[(3S)-3-methylpiperidin-1-yl]-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one?
2-methyl-3-[(3S)-3-methylpiperidin-1-yl]-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 325.33 g/mol, XLogP of 3.26, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(3S)-3-methylpiperidin-1-yl]-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 170172505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).