3-cyclopentyl-1-[2-(4-fluorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]propan-1-one

C21H24FN3O — CID 53147035

IUPAC3-cyclopentyl-1-[2-(4-fluorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]propan-1-one
SMILESO=C(CCC1CCCC1)N1CCc2nc(-c3ccc(F)cc3)ncc2C1
InChIInChI=1S/C21H24FN3O/c22-18-8-6-16(7-9-18)21-23-13-17-14-25(12-11-19(17)24-21)20(26)10-5-15-3-1-2-4-15/h6-9,13,15H,1-5,10-12,14H2
InChIKeySCMYUOFBVRNPBA-UHFFFAOYSA-N
MW353.44 g/mol
LogP4.14
Rot. Bonds4

About 3-cyclopentyl-1-[2-(4-fluorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]propan-1-one

3-cyclopentyl-1-[2-(4-fluorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]propan-1-one (PubChem CID 53147035) has the molecular formula C21H24FN3O and a molecular weight of 353.44 g/mol. Its IUPAC name is 3-cyclopentyl-1-[2-(4-fluorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]propan-1-one.

Molecular Properties

Compound Name3-cyclopentyl-1-[2-(4-fluorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]propan-1-one
PubChem CID53147035
Molecular FormulaC21H24FN3O
Molecular Weight353.44 g/mol
Exact Mass353.19
IUPAC Name3-cyclopentyl-1-[2-(4-fluorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]propan-1-one
SMILESO=C(CCC1CCCC1)N1CCc2nc(-c3ccc(F)cc3)ncc2C1
InChIInChI=1S/C21H24FN3O/c22-18-8-6-16(7-9-18)21-23-13-17-14-25(12-11-19(17)24-21)20(26)10-5-15-3-1-2-4-15/h6-9,13,15H,1-5,10-12,14H2
InChIKeySCMYUOFBVRNPBA-UHFFFAOYSA-N
XLogP4.14
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.44
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-1-[2-(4-fluorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]propan-1-one?
The IUPAC name of 3-cyclopentyl-1-[2-(4-fluorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]propan-1-one (CID 53147035) is 3-cyclopentyl-1-[2-(4-fluorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]propan-1-one.
What is the SMILES notation for 3-cyclopentyl-1-[2-(4-fluorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]propan-1-one?
The canonical SMILES for 3-cyclopentyl-1-[2-(4-fluorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]propan-1-one is O=C(CCC1CCCC1)N1CCc2nc(-c3ccc(F)cc3)ncc2C1.
What is the InChIKey of 3-cyclopentyl-1-[2-(4-fluorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]propan-1-one?
The InChIKey is SCMYUOFBVRNPBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3O/c22-18-8-6-16(7-9-18)21-23-13-17-14-25(12-11-19(17)24-21)20(26)10-5-15-3-1-2-4-15/h6-9,13,15H,1-5,10-12,14H2.
What are the key properties of 3-cyclopentyl-1-[2-(4-fluorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]propan-1-one?
3-cyclopentyl-1-[2-(4-fluorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]propan-1-one has a molecular weight of 353.44 g/mol, XLogP of 4.14, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-1-[2-(4-fluorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]propan-1-one is sourced from PubChem (CID 53147035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).