7-fluoro-2-(2-pyrrolidin-3-ylethyl)pyrido[1,2-a]pyrimidin-4-one

C14H16FN3O — CID 115054679

IUPAC7-fluoro-2-(2-pyrrolidin-3-ylethyl)pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(CCC2CCNC2)nc2ccc(F)cn12
InChIInChI=1S/C14H16FN3O/c15-11-2-4-13-17-12(7-14(19)18(13)9-11)3-1-10-5-6-16-8-10/h2,4,7,9-10,16H,1,3,5-6,8H2
InChIKeyTYMAPNUHGMIEQY-UHFFFAOYSA-N
MW261.30 g/mol
LogP1.38
Rot. Bonds3

About 7-fluoro-2-(2-pyrrolidin-3-ylethyl)pyrido[1,2-a]pyrimidin-4-one

7-fluoro-2-(2-pyrrolidin-3-ylethyl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 115054679) has the molecular formula C14H16FN3O and a molecular weight of 261.30 g/mol. Its IUPAC name is 7-fluoro-2-(2-pyrrolidin-3-ylethyl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name7-fluoro-2-(2-pyrrolidin-3-ylethyl)pyrido[1,2-a]pyrimidin-4-one
PubChem CID115054679
Molecular FormulaC14H16FN3O
Molecular Weight261.30 g/mol
Exact Mass261.13
IUPAC Name7-fluoro-2-(2-pyrrolidin-3-ylethyl)pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(CCC2CCNC2)nc2ccc(F)cn12
InChIInChI=1S/C14H16FN3O/c15-11-2-4-13-17-12(7-14(19)18(13)9-11)3-1-10-5-6-16-8-10/h2,4,7,9-10,16H,1,3,5-6,8H2
InChIKeyTYMAPNUHGMIEQY-UHFFFAOYSA-N
XLogP1.38
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-2-(2-pyrrolidin-3-ylethyl)pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 7-fluoro-2-(2-pyrrolidin-3-ylethyl)pyrido[1,2-a]pyrimidin-4-one (CID 115054679) is 7-fluoro-2-(2-pyrrolidin-3-ylethyl)pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 7-fluoro-2-(2-pyrrolidin-3-ylethyl)pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 7-fluoro-2-(2-pyrrolidin-3-ylethyl)pyrido[1,2-a]pyrimidin-4-one is O=c1cc(CCC2CCNC2)nc2ccc(F)cn12.
What is the InChIKey of 7-fluoro-2-(2-pyrrolidin-3-ylethyl)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is TYMAPNUHGMIEQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O/c15-11-2-4-13-17-12(7-14(19)18(13)9-11)3-1-10-5-6-16-8-10/h2,4,7,9-10,16H,1,3,5-6,8H2.
What are the key properties of 7-fluoro-2-(2-pyrrolidin-3-ylethyl)pyrido[1,2-a]pyrimidin-4-one?
7-fluoro-2-(2-pyrrolidin-3-ylethyl)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 261.30 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-2-(2-pyrrolidin-3-ylethyl)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 115054679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).