3-chloro-2-(2-fluorophenyl)-7-methyl-5-piperazin-1-yl-N,N-di(propan-2-yl)-1,6-naphthyridine-8-carboxamide

C26H31ClFN5O — CID 146235726

IUPAC3-chloro-2-(2-fluorophenyl)-7-methyl-5-piperazin-1-yl-N,N-di(propan-2-yl)-1,6-naphthyridine-8-carboxamide
SMILESCc1nc(N2CCNCC2)c2cc(Cl)c(-c3ccccc3F)nc2c1C(=O)N(C(C)C)C(C)C
InChIInChI=1S/C26H31ClFN5O/c1-15(2)33(16(3)4)26(34)22-17(5)30-25(32-12-10-29-11-13-32)19-14-20(27)23(31-24(19)22)18-8-6-7-9-21(18)28/h6-9,14-16,29H,10-13H2,1-5H3
InChIKeyGAIFHKSWXWISEK-UHFFFAOYSA-N
MW484.02 g/mol
LogP5.07
Rot. Bonds5

About 3-chloro-2-(2-fluorophenyl)-7-methyl-5-piperazin-1-yl-N,N-di(propan-2-yl)-1,6-naphthyridine-8-carboxamide

3-chloro-2-(2-fluorophenyl)-7-methyl-5-piperazin-1-yl-N,N-di(propan-2-yl)-1,6-naphthyridine-8-carboxamide (PubChem CID 146235726) has the molecular formula C26H31ClFN5O and a molecular weight of 484.02 g/mol. Its IUPAC name is 3-chloro-2-(2-fluorophenyl)-7-methyl-5-piperazin-1-yl-N,N-di(propan-2-yl)-1,6-naphthyridine-8-carboxamide.

Molecular Properties

Compound Name3-chloro-2-(2-fluorophenyl)-7-methyl-5-piperazin-1-yl-N,N-di(propan-2-yl)-1,6-naphthyridine-8-carboxamide
PubChem CID146235726
Molecular FormulaC26H31ClFN5O
Molecular Weight484.02 g/mol
Exact Mass483.22
IUPAC Name3-chloro-2-(2-fluorophenyl)-7-methyl-5-piperazin-1-yl-N,N-di(propan-2-yl)-1,6-naphthyridine-8-carboxamide
SMILESCc1nc(N2CCNCC2)c2cc(Cl)c(-c3ccccc3F)nc2c1C(=O)N(C(C)C)C(C)C
InChIInChI=1S/C26H31ClFN5O/c1-15(2)33(16(3)4)26(34)22-17(5)30-25(32-12-10-29-11-13-32)19-14-20(27)23(31-24(19)22)18-8-6-7-9-21(18)28/h6-9,14-16,29H,10-13H2,1-5H3
InChIKeyGAIFHKSWXWISEK-UHFFFAOYSA-N
XLogP5.07
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.02
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-chloro-2-(2-fluorophenyl)-7-methyl-5-piperazin-1-yl-N,N-di(propan-2-yl)-1,6-naphthyridine-8-carboxamide 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 3-chloro-2-(2-fluorophenyl)-7-methyl-5-piperazin-1-yl-N,N-di(propan-2-yl)-1,6-naphthyridine-8-carboxamide?
The IUPAC name of 3-chloro-2-(2-fluorophenyl)-7-methyl-5-piperazin-1-yl-N,N-di(propan-2-yl)-1,6-naphthyridine-8-carboxamide (CID 146235726) is 3-chloro-2-(2-fluorophenyl)-7-methyl-5-piperazin-1-yl-N,N-di(propan-2-yl)-1,6-naphthyridine-8-carboxamide.
What is the SMILES notation for 3-chloro-2-(2-fluorophenyl)-7-methyl-5-piperazin-1-yl-N,N-di(propan-2-yl)-1,6-naphthyridine-8-carboxamide?
The canonical SMILES for 3-chloro-2-(2-fluorophenyl)-7-methyl-5-piperazin-1-yl-N,N-di(propan-2-yl)-1,6-naphthyridine-8-carboxamide is Cc1nc(N2CCNCC2)c2cc(Cl)c(-c3ccccc3F)nc2c1C(=O)N(C(C)C)C(C)C.
What is the InChIKey of 3-chloro-2-(2-fluorophenyl)-7-methyl-5-piperazin-1-yl-N,N-di(propan-2-yl)-1,6-naphthyridine-8-carboxamide?
The InChIKey is GAIFHKSWXWISEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31ClFN5O/c1-15(2)33(16(3)4)26(34)22-17(5)30-25(32-12-10-29-11-13-32)19-14-20(27)23(31-24(19)22)18-8-6-7-9-21(18)28/h6-9,14-16,29H,10-13H2,1-5H3.
What are the key properties of 3-chloro-2-(2-fluorophenyl)-7-methyl-5-piperazin-1-yl-N,N-di(propan-2-yl)-1,6-naphthyridine-8-carboxamide?
3-chloro-2-(2-fluorophenyl)-7-methyl-5-piperazin-1-yl-N,N-di(propan-2-yl)-1,6-naphthyridine-8-carboxamide has a molecular weight of 484.02 g/mol, XLogP of 5.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(2-fluorophenyl)-7-methyl-5-piperazin-1-yl-N,N-di(propan-2-yl)-1,6-naphthyridine-8-carboxamide is sourced from PubChem (CID 146235726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).