7-[(2-fluorophenyl)methyl]-2-(2-methylpiperidin-1-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one

C20H25FN4O — CID 135719679

IUPAC7-[(2-fluorophenyl)methyl]-2-(2-methylpiperidin-1-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESCC1CCCCN1c1nc2c(c(=O)[nH]1)CCN(Cc1ccccc1F)C2
InChIInChI=1S/C20H25FN4O/c1-14-6-4-5-10-25(14)20-22-18-13-24(11-9-16(18)19(26)23-20)12-15-7-2-3-8-17(15)21/h2-3,7-8,14H,4-6,9-13H2,1H3,(H,22,23,26)
InChIKeyVVFQNPOIQYPKJR-UHFFFAOYSA-N
MW356.45 g/mol
LogP2.85
Rot. Bonds3

About 7-[(2-fluorophenyl)methyl]-2-(2-methylpiperidin-1-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one

7-[(2-fluorophenyl)methyl]-2-(2-methylpiperidin-1-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (PubChem CID 135719679) has the molecular formula C20H25FN4O and a molecular weight of 356.45 g/mol. Its IUPAC name is 7-[(2-fluorophenyl)methyl]-2-(2-methylpiperidin-1-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-[(2-fluorophenyl)methyl]-2-(2-methylpiperidin-1-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
PubChem CID135719679
Molecular FormulaC20H25FN4O
Molecular Weight356.45 g/mol
Exact Mass356.20
IUPAC Name7-[(2-fluorophenyl)methyl]-2-(2-methylpiperidin-1-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESCC1CCCCN1c1nc2c(c(=O)[nH]1)CCN(Cc1ccccc1F)C2
InChIInChI=1S/C20H25FN4O/c1-14-6-4-5-10-25(14)20-22-18-13-24(11-9-16(18)19(26)23-20)12-15-7-2-3-8-17(15)21/h2-3,7-8,14H,4-6,9-13H2,1H3,(H,22,23,26)
InChIKeyVVFQNPOIQYPKJR-UHFFFAOYSA-N
XLogP2.85
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-[(2-fluorophenyl)methyl]-2-(2-methylpiperidin-1-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 7-[(2-fluorophenyl)methyl]-2-(2-methylpiperidin-1-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (CID 135719679) is 7-[(2-fluorophenyl)methyl]-2-(2-methylpiperidin-1-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 7-[(2-fluorophenyl)methyl]-2-(2-methylpiperidin-1-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 7-[(2-fluorophenyl)methyl]-2-(2-methylpiperidin-1-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is CC1CCCCN1c1nc2c(c(=O)[nH]1)CCN(Cc1ccccc1F)C2.
What is the InChIKey of 7-[(2-fluorophenyl)methyl]-2-(2-methylpiperidin-1-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The InChIKey is VVFQNPOIQYPKJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN4O/c1-14-6-4-5-10-25(14)20-22-18-13-24(11-9-16(18)19(26)23-20)12-15-7-2-3-8-17(15)21/h2-3,7-8,14H,4-6,9-13H2,1H3,(H,22,23,26).
What are the key properties of 7-[(2-fluorophenyl)methyl]-2-(2-methylpiperidin-1-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
7-[(2-fluorophenyl)methyl]-2-(2-methylpiperidin-1-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one has a molecular weight of 356.45 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2-fluorophenyl)methyl]-2-(2-methylpiperidin-1-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 135719679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).