6-(cyclopentanecarbonyl)-2-(3-fluorophenyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

C19H20FN3O2 — CID 135772033

IUPAC6-(cyclopentanecarbonyl)-2-(3-fluorophenyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESO=C(C1CCCC1)N1CCc2nc(-c3cccc(F)c3)[nH]c(=O)c2C1
InChIInChI=1S/C19H20FN3O2/c20-14-7-3-6-13(10-14)17-21-16-8-9-23(11-15(16)18(24)22-17)19(25)12-4-1-2-5-12/h3,6-7,10,12H,1-2,4-5,8-9,11H2,(H,21,22,24)
InChIKeyJHDOCQRJGKOZHX-UHFFFAOYSA-N
MW341.39 g/mol
LogP2.65
Rot. Bonds2

About 6-(cyclopentanecarbonyl)-2-(3-fluorophenyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

6-(cyclopentanecarbonyl)-2-(3-fluorophenyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 135772033) has the molecular formula C19H20FN3O2 and a molecular weight of 341.39 g/mol. Its IUPAC name is 6-(cyclopentanecarbonyl)-2-(3-fluorophenyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-(cyclopentanecarbonyl)-2-(3-fluorophenyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
PubChem CID135772033
Molecular FormulaC19H20FN3O2
Molecular Weight341.39 g/mol
Exact Mass341.15
IUPAC Name6-(cyclopentanecarbonyl)-2-(3-fluorophenyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESO=C(C1CCCC1)N1CCc2nc(-c3cccc(F)c3)[nH]c(=O)c2C1
InChIInChI=1S/C19H20FN3O2/c20-14-7-3-6-13(10-14)17-21-16-8-9-23(11-15(16)18(24)22-17)19(25)12-4-1-2-5-12/h3,6-7,10,12H,1-2,4-5,8-9,11H2,(H,21,22,24)
InChIKeyJHDOCQRJGKOZHX-UHFFFAOYSA-N
XLogP2.65
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(cyclopentanecarbonyl)-2-(2-fluorophenyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135622522
6-acetyl-2-(4-fluorophenyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135542344
6-acetyl-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135478590
6-(cyclopropanecarbonyl)-2-[(2R)-1-(4-fluorobenzoyl)piperidin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136681348
2-(3-methylphenyl)-6-[(1S,2R)-2-phenylcyclopropanecarbonyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135748829
6-(cyclopentanecarbonyl)-2-[(4-methylphenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135816520
7-[(3R)-1-methylpiperidine-3-carbonyl]-2-phenyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136733959
2-[(3S)-1-(cyclopentanecarbonyl)piperidin-3-yl]-6-(cyclopropanecarbonyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136774685
2-(4-fluorophenyl)-6-(naphthalene-1-carbonyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135956323
7-[2-(3-fluorophenyl)acetyl]-2-pyridin-3-yl-5,6,8,9-tetrahydro-3H-pyrimido[4,5-d]azepin-4-one
CID 137167045
2-[(2R)-1-(cyclobutanecarbonyl)piperidin-2-yl]-6-(cyclopropanecarbonyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136774817
2-(3,4-difluorophenyl)-6-propanoyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135479168

Frequently Asked Questions

What is the IUPAC name of 6-(cyclopentanecarbonyl)-2-(3-fluorophenyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 6-(cyclopentanecarbonyl)-2-(3-fluorophenyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 135772033) is 6-(cyclopentanecarbonyl)-2-(3-fluorophenyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-(cyclopentanecarbonyl)-2-(3-fluorophenyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 6-(cyclopentanecarbonyl)-2-(3-fluorophenyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is O=C(C1CCCC1)N1CCc2nc(-c3cccc(F)c3)[nH]c(=O)c2C1.
What is the InChIKey of 6-(cyclopentanecarbonyl)-2-(3-fluorophenyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The InChIKey is JHDOCQRJGKOZHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O2/c20-14-7-3-6-13(10-14)17-21-16-8-9-23(11-15(16)18(24)22-17)19(25)12-4-1-2-5-12/h3,6-7,10,12H,1-2,4-5,8-9,11H2,(H,21,22,24).
What are the key properties of 6-(cyclopentanecarbonyl)-2-(3-fluorophenyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
6-(cyclopentanecarbonyl)-2-(3-fluorophenyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 341.39 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopentanecarbonyl)-2-(3-fluorophenyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 135772033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).