4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-N,N-dimethyl-2,7-naphthyridin-1-amine

C24H17ClFN5 — CID 56592294

IUPAC4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-N,N-dimethyl-2,7-naphthyridin-1-amine
SMILESCN(C)c1ncc(-c2cc(-c3cc(Cl)ccc3F)nc3ncccc23)c2ccncc12
InChIInChI=1S/C24H17ClFN5/c1-31(2)24-20-12-27-9-7-15(20)19(13-29-24)17-11-22(18-10-14(25)5-6-21(18)26)30-23-16(17)4-3-8-28-23/h3-13H,1-2H3
InChIKeyQYSBFQFVGQXFSO-UHFFFAOYSA-N
MW429.89 g/mol
LogP5.77
Rot. Bonds3

About 4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-N,N-dimethyl-2,7-naphthyridin-1-amine

4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-N,N-dimethyl-2,7-naphthyridin-1-amine (PubChem CID 56592294) has the molecular formula C24H17ClFN5 and a molecular weight of 429.89 g/mol. Its IUPAC name is 4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-N,N-dimethyl-2,7-naphthyridin-1-amine.

Molecular Properties

Compound Name4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-N,N-dimethyl-2,7-naphthyridin-1-amine
PubChem CID56592294
Molecular FormulaC24H17ClFN5
Molecular Weight429.89 g/mol
Exact Mass429.12
IUPAC Name4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-N,N-dimethyl-2,7-naphthyridin-1-amine
SMILESCN(C)c1ncc(-c2cc(-c3cc(Cl)ccc3F)nc3ncccc23)c2ccncc12
InChIInChI=1S/C24H17ClFN5/c1-31(2)24-20-12-27-9-7-15(20)19(13-29-24)17-11-22(18-10-14(25)5-6-21(18)26)30-23-16(17)4-3-8-28-23/h3-13H,1-2H3
InChIKeyQYSBFQFVGQXFSO-UHFFFAOYSA-N
XLogP5.77
TPSA54.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.89
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-N,N-dimethyl-2,7-naphthyridin-1-amine?
The IUPAC name of 4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-N,N-dimethyl-2,7-naphthyridin-1-amine (CID 56592294) is 4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-N,N-dimethyl-2,7-naphthyridin-1-amine.
What is the SMILES notation for 4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-N,N-dimethyl-2,7-naphthyridin-1-amine?
The canonical SMILES for 4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-N,N-dimethyl-2,7-naphthyridin-1-amine is CN(C)c1ncc(-c2cc(-c3cc(Cl)ccc3F)nc3ncccc23)c2ccncc12.
What is the InChIKey of 4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-N,N-dimethyl-2,7-naphthyridin-1-amine?
The InChIKey is QYSBFQFVGQXFSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17ClFN5/c1-31(2)24-20-12-27-9-7-15(20)19(13-29-24)17-11-22(18-10-14(25)5-6-21(18)26)30-23-16(17)4-3-8-28-23/h3-13H,1-2H3.
What are the key properties of 4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-N,N-dimethyl-2,7-naphthyridin-1-amine?
4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-N,N-dimethyl-2,7-naphthyridin-1-amine has a molecular weight of 429.89 g/mol, XLogP of 5.77, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-N,N-dimethyl-2,7-naphthyridin-1-amine is sourced from PubChem (CID 56592294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).