6-[5-(5-chloro-2,4-difluorophenyl)-1H-pyrazol-4-yl]-N-[2-(4-methylpiperazin-1-yl)ethyl]-1,5-naphthyridin-3-amine

C24H24ClF2N7 — CID 146661764

IUPAC6-[5-(5-chloro-2,4-difluorophenyl)-1H-pyrazol-4-yl]-N-[2-(4-methylpiperazin-1-yl)ethyl]-1,5-naphthyridin-3-amine
SMILESCN1CCN(CCNc2cnc3ccc(-c4cn[nH]c4-c4cc(Cl)c(F)cc4F)nc3c2)CC1
InChIInChI=1S/C24H24ClF2N7/c1-33-6-8-34(9-7-33)5-4-28-15-10-23-22(29-13-15)3-2-21(31-23)17-14-30-32-24(17)16-11-18(25)20(27)12-19(16)26/h2-3,10-14,28H,4-9H2,1H3,(H,30,32)
InChIKeyPDQHTOTULLSZID-UHFFFAOYSA-N
MW483.95 g/mol
LogP4.28
Rot. Bonds6

About 6-[5-(5-chloro-2,4-difluorophenyl)-1H-pyrazol-4-yl]-N-[2-(4-methylpiperazin-1-yl)ethyl]-1,5-naphthyridin-3-amine

6-[5-(5-chloro-2,4-difluorophenyl)-1H-pyrazol-4-yl]-N-[2-(4-methylpiperazin-1-yl)ethyl]-1,5-naphthyridin-3-amine (PubChem CID 146661764) has the molecular formula C24H24ClF2N7 and a molecular weight of 483.95 g/mol. Its IUPAC name is 6-[5-(5-chloro-2,4-difluorophenyl)-1H-pyrazol-4-yl]-N-[2-(4-methylpiperazin-1-yl)ethyl]-1,5-naphthyridin-3-amine.

Molecular Properties

Compound Name6-[5-(5-chloro-2,4-difluorophenyl)-1H-pyrazol-4-yl]-N-[2-(4-methylpiperazin-1-yl)ethyl]-1,5-naphthyridin-3-amine
PubChem CID146661764
Molecular FormulaC24H24ClF2N7
Molecular Weight483.95 g/mol
Exact Mass483.17
IUPAC Name6-[5-(5-chloro-2,4-difluorophenyl)-1H-pyrazol-4-yl]-N-[2-(4-methylpiperazin-1-yl)ethyl]-1,5-naphthyridin-3-amine
SMILESCN1CCN(CCNc2cnc3ccc(-c4cn[nH]c4-c4cc(Cl)c(F)cc4F)nc3c2)CC1
InChIInChI=1S/C24H24ClF2N7/c1-33-6-8-34(9-7-33)5-4-28-15-10-23-22(29-13-15)3-2-21(31-23)17-14-30-32-24(17)16-11-18(25)20(27)12-19(16)26/h2-3,10-14,28H,4-9H2,1H3,(H,30,32)
InChIKeyPDQHTOTULLSZID-UHFFFAOYSA-N
XLogP4.28
TPSA72.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.95
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 6-[5-(5-chloro-2,4-difluorophenyl)-1H-pyrazol-4-yl]-N-[2-(4-methylpiperazin-1-yl)ethyl]-1,5-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 6-[5-(5-chloro-2,4-difluorophenyl)-1H-pyrazol-4-yl]-N-[2-(4-methylpiperazin-1-yl)ethyl]-1,5-naphthyridin-3-amine?
The IUPAC name of 6-[5-(5-chloro-2,4-difluorophenyl)-1H-pyrazol-4-yl]-N-[2-(4-methylpiperazin-1-yl)ethyl]-1,5-naphthyridin-3-amine (CID 146661764) is 6-[5-(5-chloro-2,4-difluorophenyl)-1H-pyrazol-4-yl]-N-[2-(4-methylpiperazin-1-yl)ethyl]-1,5-naphthyridin-3-amine.
What is the SMILES notation for 6-[5-(5-chloro-2,4-difluorophenyl)-1H-pyrazol-4-yl]-N-[2-(4-methylpiperazin-1-yl)ethyl]-1,5-naphthyridin-3-amine?
The canonical SMILES for 6-[5-(5-chloro-2,4-difluorophenyl)-1H-pyrazol-4-yl]-N-[2-(4-methylpiperazin-1-yl)ethyl]-1,5-naphthyridin-3-amine is CN1CCN(CCNc2cnc3ccc(-c4cn[nH]c4-c4cc(Cl)c(F)cc4F)nc3c2)CC1.
What is the InChIKey of 6-[5-(5-chloro-2,4-difluorophenyl)-1H-pyrazol-4-yl]-N-[2-(4-methylpiperazin-1-yl)ethyl]-1,5-naphthyridin-3-amine?
The InChIKey is PDQHTOTULLSZID-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClF2N7/c1-33-6-8-34(9-7-33)5-4-28-15-10-23-22(29-13-15)3-2-21(31-23)17-14-30-32-24(17)16-11-18(25)20(27)12-19(16)26/h2-3,10-14,28H,4-9H2,1H3,(H,30,32).
What are the key properties of 6-[5-(5-chloro-2,4-difluorophenyl)-1H-pyrazol-4-yl]-N-[2-(4-methylpiperazin-1-yl)ethyl]-1,5-naphthyridin-3-amine?
6-[5-(5-chloro-2,4-difluorophenyl)-1H-pyrazol-4-yl]-N-[2-(4-methylpiperazin-1-yl)ethyl]-1,5-naphthyridin-3-amine has a molecular weight of 483.95 g/mol, XLogP of 4.28, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(5-chloro-2,4-difluorophenyl)-1H-pyrazol-4-yl]-N-[2-(4-methylpiperazin-1-yl)ethyl]-1,5-naphthyridin-3-amine is sourced from PubChem (CID 146661764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).