1-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3H-imidazo[4,5-c]pyridin-2-one

C20H11ClFN5O — CID 53372061

IUPAC1-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3H-imidazo[4,5-c]pyridin-2-one
SMILESO=c1[nH]c2cnccc2n1-c1cc(-c2cc(Cl)ccc2F)nc2ncccc12
InChIInChI=1S/C20H11ClFN5O/c21-11-3-4-14(22)13(8-11)15-9-18(12-2-1-6-24-19(12)25-15)27-17-5-7-23-10-16(17)26-20(27)28/h1-10H,(H,26,28)
InChIKeyLWSMXFKQUUHREU-UHFFFAOYSA-N
MW391.79 g/mol
LogP4.12
Rot. Bonds2

About 1-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3H-imidazo[4,5-c]pyridin-2-one

1-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3H-imidazo[4,5-c]pyridin-2-one (PubChem CID 53372061) has the molecular formula C20H11ClFN5O and a molecular weight of 391.79 g/mol. Its IUPAC name is 1-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3H-imidazo[4,5-c]pyridin-2-one.

Molecular Properties

Compound Name1-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3H-imidazo[4,5-c]pyridin-2-one
PubChem CID53372061
Molecular FormulaC20H11ClFN5O
Molecular Weight391.79 g/mol
Exact Mass391.06
IUPAC Name1-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3H-imidazo[4,5-c]pyridin-2-one
SMILESO=c1[nH]c2cnccc2n1-c1cc(-c2cc(Cl)ccc2F)nc2ncccc12
InChIInChI=1S/C20H11ClFN5O/c21-11-3-4-14(22)13(8-11)15-9-18(12-2-1-6-24-19(12)25-15)27-17-5-7-23-10-16(17)26-20(27)28/h1-10H,(H,26,28)
InChIKeyLWSMXFKQUUHREU-UHFFFAOYSA-N
XLogP4.12
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.79
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3H-imidazo[4,5-c]pyridin-2-one?
The IUPAC name of 1-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3H-imidazo[4,5-c]pyridin-2-one (CID 53372061) is 1-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3H-imidazo[4,5-c]pyridin-2-one.
What is the SMILES notation for 1-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3H-imidazo[4,5-c]pyridin-2-one?
The canonical SMILES for 1-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3H-imidazo[4,5-c]pyridin-2-one is O=c1[nH]c2cnccc2n1-c1cc(-c2cc(Cl)ccc2F)nc2ncccc12.
What is the InChIKey of 1-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3H-imidazo[4,5-c]pyridin-2-one?
The InChIKey is LWSMXFKQUUHREU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11ClFN5O/c21-11-3-4-14(22)13(8-11)15-9-18(12-2-1-6-24-19(12)25-15)27-17-5-7-23-10-16(17)26-20(27)28/h1-10H,(H,26,28).
What are the key properties of 1-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3H-imidazo[4,5-c]pyridin-2-one?
1-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3H-imidazo[4,5-c]pyridin-2-one has a molecular weight of 391.79 g/mol, XLogP of 4.12, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3H-imidazo[4,5-c]pyridin-2-one is sourced from PubChem (CID 53372061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).