2-(5-chloro-2-fluorophenyl)-4-[1-(2-methoxyethyl)pyrrolo[2,3-c]pyridin-3-yl]-1,8-naphthyridine

C24H18ClFN4O — CID 66632387

IUPAC2-(5-chloro-2-fluorophenyl)-4-[1-(2-methoxyethyl)pyrrolo[2,3-c]pyridin-3-yl]-1,8-naphthyridine
SMILESCOCCn1cc(-c2cc(-c3cc(Cl)ccc3F)nc3ncccc23)c2ccncc21
InChIInChI=1S/C24H18ClFN4O/c1-31-10-9-30-14-20(16-6-8-27-13-23(16)30)18-12-22(19-11-15(25)4-5-21(19)26)29-24-17(18)3-2-7-28-24/h2-8,11-14H,9-10H2,1H3
InChIKeyZLJBKILXEHOTIH-UHFFFAOYSA-N
MW432.89 g/mol
LogP5.75
Rot. Bonds5

About 2-(5-chloro-2-fluorophenyl)-4-[1-(2-methoxyethyl)pyrrolo[2,3-c]pyridin-3-yl]-1,8-naphthyridine

2-(5-chloro-2-fluorophenyl)-4-[1-(2-methoxyethyl)pyrrolo[2,3-c]pyridin-3-yl]-1,8-naphthyridine (PubChem CID 66632387) has the molecular formula C24H18ClFN4O and a molecular weight of 432.89 g/mol. Its IUPAC name is 2-(5-chloro-2-fluorophenyl)-4-[1-(2-methoxyethyl)pyrrolo[2,3-c]pyridin-3-yl]-1,8-naphthyridine.

Molecular Properties

Compound Name2-(5-chloro-2-fluorophenyl)-4-[1-(2-methoxyethyl)pyrrolo[2,3-c]pyridin-3-yl]-1,8-naphthyridine
PubChem CID66632387
Molecular FormulaC24H18ClFN4O
Molecular Weight432.89 g/mol
Exact Mass432.12
IUPAC Name2-(5-chloro-2-fluorophenyl)-4-[1-(2-methoxyethyl)pyrrolo[2,3-c]pyridin-3-yl]-1,8-naphthyridine
SMILESCOCCn1cc(-c2cc(-c3cc(Cl)ccc3F)nc3ncccc23)c2ccncc21
InChIInChI=1S/C24H18ClFN4O/c1-31-10-9-30-14-20(16-6-8-27-13-23(16)30)18-12-22(19-11-15(25)4-5-21(19)26)29-24-17(18)3-2-7-28-24/h2-8,11-14H,9-10H2,1H3
InChIKeyZLJBKILXEHOTIH-UHFFFAOYSA-N
XLogP5.75
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.89
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-fluorophenyl)-4-[1-(2-methoxyethyl)pyrrolo[2,3-c]pyridin-3-yl]-1,8-naphthyridine?
The IUPAC name of 2-(5-chloro-2-fluorophenyl)-4-[1-(2-methoxyethyl)pyrrolo[2,3-c]pyridin-3-yl]-1,8-naphthyridine (CID 66632387) is 2-(5-chloro-2-fluorophenyl)-4-[1-(2-methoxyethyl)pyrrolo[2,3-c]pyridin-3-yl]-1,8-naphthyridine.
What is the SMILES notation for 2-(5-chloro-2-fluorophenyl)-4-[1-(2-methoxyethyl)pyrrolo[2,3-c]pyridin-3-yl]-1,8-naphthyridine?
The canonical SMILES for 2-(5-chloro-2-fluorophenyl)-4-[1-(2-methoxyethyl)pyrrolo[2,3-c]pyridin-3-yl]-1,8-naphthyridine is COCCn1cc(-c2cc(-c3cc(Cl)ccc3F)nc3ncccc23)c2ccncc21.
What is the InChIKey of 2-(5-chloro-2-fluorophenyl)-4-[1-(2-methoxyethyl)pyrrolo[2,3-c]pyridin-3-yl]-1,8-naphthyridine?
The InChIKey is ZLJBKILXEHOTIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClFN4O/c1-31-10-9-30-14-20(16-6-8-27-13-23(16)30)18-12-22(19-11-15(25)4-5-21(19)26)29-24-17(18)3-2-7-28-24/h2-8,11-14H,9-10H2,1H3.
What are the key properties of 2-(5-chloro-2-fluorophenyl)-4-[1-(2-methoxyethyl)pyrrolo[2,3-c]pyridin-3-yl]-1,8-naphthyridine?
2-(5-chloro-2-fluorophenyl)-4-[1-(2-methoxyethyl)pyrrolo[2,3-c]pyridin-3-yl]-1,8-naphthyridine has a molecular weight of 432.89 g/mol, XLogP of 5.75, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-fluorophenyl)-4-[1-(2-methoxyethyl)pyrrolo[2,3-c]pyridin-3-yl]-1,8-naphthyridine is sourced from PubChem (CID 66632387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).