5-chloro-7-(7-fluoro-2-methylindazol-5-yl)-N,N-bis(2-methylpropyl)-1,8-naphthyridin-3-amine

C24H27ClFN5 — CID 168978817

IUPAC5-chloro-7-(7-fluoro-2-methylindazol-5-yl)-N,N-bis(2-methylpropyl)-1,8-naphthyridin-3-amine
SMILESCC(C)CN(CC(C)C)c1cnc2nc(-c3cc(F)c4nn(C)cc4c3)cc(Cl)c2c1
InChIInChI=1S/C24H27ClFN5/c1-14(2)11-31(12-15(3)4)18-8-19-20(25)9-22(28-24(19)27-10-18)16-6-17-13-30(5)29-23(17)21(26)7-16/h6-10,13-15H,11-12H2,1-5H3
InChIKeyLQKHUJHGIRVAHV-UHFFFAOYSA-N
MW439.97 g/mol
LogP6.09
Rot. Bonds6

About 5-chloro-7-(7-fluoro-2-methylindazol-5-yl)-N,N-bis(2-methylpropyl)-1,8-naphthyridin-3-amine

5-chloro-7-(7-fluoro-2-methylindazol-5-yl)-N,N-bis(2-methylpropyl)-1,8-naphthyridin-3-amine (PubChem CID 168978817) has the molecular formula C24H27ClFN5 and a molecular weight of 439.97 g/mol. Its IUPAC name is 5-chloro-7-(7-fluoro-2-methylindazol-5-yl)-N,N-bis(2-methylpropyl)-1,8-naphthyridin-3-amine.

Molecular Properties

Compound Name5-chloro-7-(7-fluoro-2-methylindazol-5-yl)-N,N-bis(2-methylpropyl)-1,8-naphthyridin-3-amine
PubChem CID168978817
Molecular FormulaC24H27ClFN5
Molecular Weight439.97 g/mol
Exact Mass439.19
IUPAC Name5-chloro-7-(7-fluoro-2-methylindazol-5-yl)-N,N-bis(2-methylpropyl)-1,8-naphthyridin-3-amine
SMILESCC(C)CN(CC(C)C)c1cnc2nc(-c3cc(F)c4nn(C)cc4c3)cc(Cl)c2c1
InChIInChI=1S/C24H27ClFN5/c1-14(2)11-31(12-15(3)4)18-8-19-20(25)9-22(28-24(19)27-10-18)16-6-17-13-30(5)29-23(17)21(26)7-16/h6-10,13-15H,11-12H2,1-5H3
InChIKeyLQKHUJHGIRVAHV-UHFFFAOYSA-N
XLogP6.09
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.97
LogP ≤ 56.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-chloro-7-(7-fluoro-2-methylindazol-5-yl)-N,N-bis(2-methylpropyl)-1,8-naphthyridin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-chloro-7-(7-fluoro-2-methylindazol-5-yl)-N,N-bis(2-methylpropyl)-1,8-naphthyridin-3-amine?
The IUPAC name of 5-chloro-7-(7-fluoro-2-methylindazol-5-yl)-N,N-bis(2-methylpropyl)-1,8-naphthyridin-3-amine (CID 168978817) is 5-chloro-7-(7-fluoro-2-methylindazol-5-yl)-N,N-bis(2-methylpropyl)-1,8-naphthyridin-3-amine.
What is the SMILES notation for 5-chloro-7-(7-fluoro-2-methylindazol-5-yl)-N,N-bis(2-methylpropyl)-1,8-naphthyridin-3-amine?
The canonical SMILES for 5-chloro-7-(7-fluoro-2-methylindazol-5-yl)-N,N-bis(2-methylpropyl)-1,8-naphthyridin-3-amine is CC(C)CN(CC(C)C)c1cnc2nc(-c3cc(F)c4nn(C)cc4c3)cc(Cl)c2c1.
What is the InChIKey of 5-chloro-7-(7-fluoro-2-methylindazol-5-yl)-N,N-bis(2-methylpropyl)-1,8-naphthyridin-3-amine?
The InChIKey is LQKHUJHGIRVAHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClFN5/c1-14(2)11-31(12-15(3)4)18-8-19-20(25)9-22(28-24(19)27-10-18)16-6-17-13-30(5)29-23(17)21(26)7-16/h6-10,13-15H,11-12H2,1-5H3.
What are the key properties of 5-chloro-7-(7-fluoro-2-methylindazol-5-yl)-N,N-bis(2-methylpropyl)-1,8-naphthyridin-3-amine?
5-chloro-7-(7-fluoro-2-methylindazol-5-yl)-N,N-bis(2-methylpropyl)-1,8-naphthyridin-3-amine has a molecular weight of 439.97 g/mol, XLogP of 6.09, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-7-(7-fluoro-2-methylindazol-5-yl)-N,N-bis(2-methylpropyl)-1,8-naphthyridin-3-amine is sourced from PubChem (CID 168978817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).