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

C20H22FN3O2 — CID 137095094

IUPAC6-[1-(3-fluorophenyl)cyclopentanecarbonyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCc1nc2c(c(=O)[nH]1)CN(C(=O)C1(c3cccc(F)c3)CCCC1)CC2
InChIInChI=1S/C20H22FN3O2/c1-13-22-17-7-10-24(12-16(17)18(25)23-13)19(26)20(8-2-3-9-20)14-5-4-6-15(21)11-14/h4-6,11H,2-3,7-10,12H2,1H3,(H,22,23,25)
InChIKeyUJIDMNGZZNCDSC-UHFFFAOYSA-N
MW355.41 g/mol
LogP2.61
Rot. Bonds2

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

6-[1-(3-fluorophenyl)cyclopentanecarbonyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 137095094) has the molecular formula C20H22FN3O2 and a molecular weight of 355.41 g/mol. Its IUPAC name is 6-[1-(3-fluorophenyl)cyclopentanecarbonyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-[1-(3-fluorophenyl)cyclopentanecarbonyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
PubChem CID137095094
Molecular FormulaC20H22FN3O2
Molecular Weight355.41 g/mol
Exact Mass355.17
IUPAC Name6-[1-(3-fluorophenyl)cyclopentanecarbonyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCc1nc2c(c(=O)[nH]1)CN(C(=O)C1(c3cccc(F)c3)CCCC1)CC2
InChIInChI=1S/C20H22FN3O2/c1-13-22-17-7-10-24(12-16(17)18(25)23-13)19(26)20(8-2-3-9-20)14-5-4-6-15(21)11-14/h4-6,11H,2-3,7-10,12H2,1H3,(H,22,23,25)
InChIKeyUJIDMNGZZNCDSC-UHFFFAOYSA-N
XLogP2.61
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.41
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[1-(3-fluorophenyl)cyclopentanecarbonyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 6-[1-(3-fluorophenyl)cyclopentanecarbonyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 137095094) is 6-[1-(3-fluorophenyl)cyclopentanecarbonyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-[1-(3-fluorophenyl)cyclopentanecarbonyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 6-[1-(3-fluorophenyl)cyclopentanecarbonyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is Cc1nc2c(c(=O)[nH]1)CN(C(=O)C1(c3cccc(F)c3)CCCC1)CC2.
What is the InChIKey of 6-[1-(3-fluorophenyl)cyclopentanecarbonyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The InChIKey is UJIDMNGZZNCDSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O2/c1-13-22-17-7-10-24(12-16(17)18(25)23-13)19(26)20(8-2-3-9-20)14-5-4-6-15(21)11-14/h4-6,11H,2-3,7-10,12H2,1H3,(H,22,23,25).
What are the key properties of 6-[1-(3-fluorophenyl)cyclopentanecarbonyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
6-[1-(3-fluorophenyl)cyclopentanecarbonyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 355.41 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(3-fluorophenyl)cyclopentanecarbonyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 137095094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).