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

C22H13ClFN5 — CID 66632122

IUPAC4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridin-1-amine
SMILESNc1ncc(-c2cc(-c3cc(Cl)ccc3F)nc3ncccc23)c2ccncc12
InChIInChI=1S/C22H13ClFN5/c23-12-3-4-19(24)16(8-12)20-9-15(14-2-1-6-27-22(14)29-20)17-11-28-21(25)18-10-26-7-5-13(17)18/h1-11H,(H2,25,28)
InChIKeyNNCRLOGTRHHSDZ-UHFFFAOYSA-N
MW401.83 g/mol
LogP5.28
Rot. Bonds2

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

4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridin-1-amine (PubChem CID 66632122) has the molecular formula C22H13ClFN5 and a molecular weight of 401.83 g/mol. Its IUPAC name is 4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridin-1-amine.

Molecular Properties

Compound Name4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridin-1-amine
PubChem CID66632122
Molecular FormulaC22H13ClFN5
Molecular Weight401.83 g/mol
Exact Mass401.08
IUPAC Name4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridin-1-amine
SMILESNc1ncc(-c2cc(-c3cc(Cl)ccc3F)nc3ncccc23)c2ccncc12
InChIInChI=1S/C22H13ClFN5/c23-12-3-4-19(24)16(8-12)20-9-15(14-2-1-6-27-22(14)29-20)17-11-28-21(25)18-10-26-7-5-13(17)18/h1-11H,(H2,25,28)
InChIKeyNNCRLOGTRHHSDZ-UHFFFAOYSA-N
XLogP5.28
TPSA77.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.83
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridin-1-amine with MolForge

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

Launch Full Analysis

Related Compounds

Seletalisib
CID 56928390
Nsc343227
CID 335083
SD-208
CID 10316032
N1-(7-chloroquinolin-4-yl)-N3-(6-methyl-2-(piperidin-1-yl)pyrimidin-4-yl)propane-1,3-diamine
CID 70684938
4-N-(3-chlorophenyl)pyrido[4,3-d]pyrimidine-4,7-diamine
CID 5328070
6-(2,6-Dichlorophenyl)pyrido[2,3-d]pyrimidine-2,7-diamine
CID 5328113
Aminoisoquinoline, 12b
CID 44473101
Aminoisoquinoline, 13
CID 44473102
6-[(4-Chloro-2-methyl-anilino)methyl]-5-methyl-pyrido[2,3-d]pyrimidine-2,4-diamine
CID 470176
2-(3,5-Dichlorophenyl)-7-methylpyrido[2,3-d]pyrimidine
CID 44435034
N-(3-chlorophenyl)-2-pyridin-4-ylquinazolin-4-amine
CID 929366
N-[(3-chlorophenyl)methyl]-2-pyridin-3-ylquinazolin-4-amine
CID 2465035

Frequently Asked Questions

What is the IUPAC name of 4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridin-1-amine?
The IUPAC name of 4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridin-1-amine (CID 66632122) is 4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridin-1-amine.
What is the SMILES notation for 4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridin-1-amine?
The canonical SMILES for 4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridin-1-amine is Nc1ncc(-c2cc(-c3cc(Cl)ccc3F)nc3ncccc23)c2ccncc12.
What is the InChIKey of 4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridin-1-amine?
The InChIKey is NNCRLOGTRHHSDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13ClFN5/c23-12-3-4-19(24)16(8-12)20-9-15(14-2-1-6-27-22(14)29-20)17-11-28-21(25)18-10-26-7-5-13(17)18/h1-11H,(H2,25,28).
What are the key properties of 4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridin-1-amine?
4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridin-1-amine has a molecular weight of 401.83 g/mol, XLogP of 5.28, 2 rotatable bonds, 1 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]-2,7-naphthyridin-1-amine is sourced from PubChem (CID 66632122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).