7-chloro-2-[(2-pyridin-2-ylpiperidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one

C19H19ClN4O — CID 56908711

IUPAC7-chloro-2-[(2-pyridin-2-ylpiperidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(CN2CCCCC2c2ccccn2)nc2ccc(Cl)cn12
InChIInChI=1S/C19H19ClN4O/c20-14-7-8-18-22-15(11-19(25)24(18)12-14)13-23-10-4-2-6-17(23)16-5-1-3-9-21-16/h1,3,5,7-9,11-12,17H,2,4,6,10,13H2
InChIKeyAGYHLNUHCLZDGS-UHFFFAOYSA-N
MW354.84 g/mol
LogP3.47
Rot. Bonds3

About 7-chloro-2-[(2-pyridin-2-ylpiperidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one

7-chloro-2-[(2-pyridin-2-ylpiperidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 56908711) has the molecular formula C19H19ClN4O and a molecular weight of 354.84 g/mol. Its IUPAC name is 7-chloro-2-[(2-pyridin-2-ylpiperidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name7-chloro-2-[(2-pyridin-2-ylpiperidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID56908711
Molecular FormulaC19H19ClN4O
Molecular Weight354.84 g/mol
Exact Mass354.12
IUPAC Name7-chloro-2-[(2-pyridin-2-ylpiperidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(CN2CCCCC2c2ccccn2)nc2ccc(Cl)cn12
InChIInChI=1S/C19H19ClN4O/c20-14-7-8-18-22-15(11-19(25)24(18)12-14)13-23-10-4-2-6-17(23)16-5-1-3-9-21-16/h1,3,5,7-9,11-12,17H,2,4,6,10,13H2
InChIKeyAGYHLNUHCLZDGS-UHFFFAOYSA-N
XLogP3.47
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.84
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-[(2-pyridin-2-ylpiperidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 7-chloro-2-[(2-pyridin-2-ylpiperidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one (CID 56908711) is 7-chloro-2-[(2-pyridin-2-ylpiperidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 7-chloro-2-[(2-pyridin-2-ylpiperidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 7-chloro-2-[(2-pyridin-2-ylpiperidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one is O=c1cc(CN2CCCCC2c2ccccn2)nc2ccc(Cl)cn12.
What is the InChIKey of 7-chloro-2-[(2-pyridin-2-ylpiperidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is AGYHLNUHCLZDGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O/c20-14-7-8-18-22-15(11-19(25)24(18)12-14)13-23-10-4-2-6-17(23)16-5-1-3-9-21-16/h1,3,5,7-9,11-12,17H,2,4,6,10,13H2.
What are the key properties of 7-chloro-2-[(2-pyridin-2-ylpiperidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one?
7-chloro-2-[(2-pyridin-2-ylpiperidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 354.84 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-[(2-pyridin-2-ylpiperidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 56908711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).