1-[2-[4-[2-(5,6-dimethyl-3-pyridinyl)ethyl]piperidin-1-yl]ethyl]-7-fluoro-1,5-naphthyridin-2-one

C24H29FN4O — CID 58579359

IUPAC1-[2-[4-[2-(5,6-dimethyl-3-pyridinyl)ethyl]piperidin-1-yl]ethyl]-7-fluoro-1,5-naphthyridin-2-one
SMILESCc1cc(CCC2CCN(CCn3c(=O)ccc4ncc(F)cc43)CC2)cnc1C
InChIInChI=1S/C24H29FN4O/c1-17-13-20(15-26-18(17)2)4-3-19-7-9-28(10-8-19)11-12-29-23-14-21(25)16-27-22(23)5-6-24(29)30/h5-6,13-16,19H,3-4,7-12H2,1-2H3
InChIKeyKMBGCRDIVUYLKE-UHFFFAOYSA-N
MW408.52 g/mol
LogP3.89
Rot. Bonds6

About 1-[2-[4-[2-(5,6-dimethyl-3-pyridinyl)ethyl]piperidin-1-yl]ethyl]-7-fluoro-1,5-naphthyridin-2-one

1-[2-[4-[2-(5,6-dimethyl-3-pyridinyl)ethyl]piperidin-1-yl]ethyl]-7-fluoro-1,5-naphthyridin-2-one (PubChem CID 58579359) has the molecular formula C24H29FN4O and a molecular weight of 408.52 g/mol. Its IUPAC name is 1-[2-[4-[2-(5,6-dimethyl-3-pyridinyl)ethyl]piperidin-1-yl]ethyl]-7-fluoro-1,5-naphthyridin-2-one.

Molecular Properties

Compound Name1-[2-[4-[2-(5,6-dimethyl-3-pyridinyl)ethyl]piperidin-1-yl]ethyl]-7-fluoro-1,5-naphthyridin-2-one
PubChem CID58579359
Molecular FormulaC24H29FN4O
Molecular Weight408.52 g/mol
Exact Mass408.23
IUPAC Name1-[2-[4-[2-(5,6-dimethyl-3-pyridinyl)ethyl]piperidin-1-yl]ethyl]-7-fluoro-1,5-naphthyridin-2-one
SMILESCc1cc(CCC2CCN(CCn3c(=O)ccc4ncc(F)cc43)CC2)cnc1C
InChIInChI=1S/C24H29FN4O/c1-17-13-20(15-26-18(17)2)4-3-19-7-9-28(10-8-19)11-12-29-23-14-21(25)16-27-22(23)5-6-24(29)30/h5-6,13-16,19H,3-4,7-12H2,1-2H3
InChIKeyKMBGCRDIVUYLKE-UHFFFAOYSA-N
XLogP3.89
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.52
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[2-(5,6-dimethyl-3-pyridinyl)ethyl]piperidin-1-yl]ethyl]-7-fluoro-1,5-naphthyridin-2-one?
The IUPAC name of 1-[2-[4-[2-(5,6-dimethyl-3-pyridinyl)ethyl]piperidin-1-yl]ethyl]-7-fluoro-1,5-naphthyridin-2-one (CID 58579359) is 1-[2-[4-[2-(5,6-dimethyl-3-pyridinyl)ethyl]piperidin-1-yl]ethyl]-7-fluoro-1,5-naphthyridin-2-one.
What is the SMILES notation for 1-[2-[4-[2-(5,6-dimethyl-3-pyridinyl)ethyl]piperidin-1-yl]ethyl]-7-fluoro-1,5-naphthyridin-2-one?
The canonical SMILES for 1-[2-[4-[2-(5,6-dimethyl-3-pyridinyl)ethyl]piperidin-1-yl]ethyl]-7-fluoro-1,5-naphthyridin-2-one is Cc1cc(CCC2CCN(CCn3c(=O)ccc4ncc(F)cc43)CC2)cnc1C.
What is the InChIKey of 1-[2-[4-[2-(5,6-dimethyl-3-pyridinyl)ethyl]piperidin-1-yl]ethyl]-7-fluoro-1,5-naphthyridin-2-one?
The InChIKey is KMBGCRDIVUYLKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN4O/c1-17-13-20(15-26-18(17)2)4-3-19-7-9-28(10-8-19)11-12-29-23-14-21(25)16-27-22(23)5-6-24(29)30/h5-6,13-16,19H,3-4,7-12H2,1-2H3.
What are the key properties of 1-[2-[4-[2-(5,6-dimethyl-3-pyridinyl)ethyl]piperidin-1-yl]ethyl]-7-fluoro-1,5-naphthyridin-2-one?
1-[2-[4-[2-(5,6-dimethyl-3-pyridinyl)ethyl]piperidin-1-yl]ethyl]-7-fluoro-1,5-naphthyridin-2-one has a molecular weight of 408.52 g/mol, XLogP of 3.89, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[2-(5,6-dimethyl-3-pyridinyl)ethyl]piperidin-1-yl]ethyl]-7-fluoro-1,5-naphthyridin-2-one is sourced from PubChem (CID 58579359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).