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

C24H24ClF2N7 — CID 146662239

IUPAC6-[5-(5-chloro-2,4-difluorophenyl)-1H-pyrazol-4-yl]-N-methyl-N-(2-piperazin-1-ylethyl)-1,5-naphthyridin-3-amine
SMILESCN(CCN1CCNCC1)c1cnc2ccc(-c3cn[nH]c3-c3cc(Cl)c(F)cc3F)nc2c1
InChIInChI=1S/C24H24ClF2N7/c1-33(8-9-34-6-4-28-5-7-34)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)
InChIKeyQUSAXPPJQUDNLO-UHFFFAOYSA-N
MW483.95 g/mol
LogP3.96
Rot. Bonds6

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

6-[5-(5-chloro-2,4-difluorophenyl)-1H-pyrazol-4-yl]-N-methyl-N-(2-piperazin-1-ylethyl)-1,5-naphthyridin-3-amine (PubChem CID 146662239) 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-methyl-N-(2-piperazin-1-ylethyl)-1,5-naphthyridin-3-amine.

Molecular Properties

Compound Name6-[5-(5-chloro-2,4-difluorophenyl)-1H-pyrazol-4-yl]-N-methyl-N-(2-piperazin-1-ylethyl)-1,5-naphthyridin-3-amine
PubChem CID146662239
Molecular FormulaC24H24ClF2N7
Molecular Weight483.95 g/mol
Exact Mass483.17
IUPAC Name6-[5-(5-chloro-2,4-difluorophenyl)-1H-pyrazol-4-yl]-N-methyl-N-(2-piperazin-1-ylethyl)-1,5-naphthyridin-3-amine
SMILESCN(CCN1CCNCC1)c1cnc2ccc(-c3cn[nH]c3-c3cc(Cl)c(F)cc3F)nc2c1
InChIInChI=1S/C24H24ClF2N7/c1-33(8-9-34-6-4-28-5-7-34)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)
InChIKeyQUSAXPPJQUDNLO-UHFFFAOYSA-N
XLogP3.96
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 ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-[5-(5-chloro-2,4-difluorophenyl)-1H-pyrazol-4-yl]-N-methyl-N-[(3R)-pyrrolidin-3-yl]-1,5-naphthyridin-3-amine
CID 146661917
6-[5-(5-chloro-2,4-difluorophenyl)-1H-pyrazol-4-yl]-N-(2-pyrrolidin-1-ylethyl)-1,5-naphthyridin-3-amine
CID 146661817
N-[2-[4-[6-[5-(5-chloro-2,4-difluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]piperazin-1-yl]ethyl]propan-2-amine
CID 146661928
6-[5-(5-chloro-2,4-difluorophenyl)-1H-pyrazol-4-yl]-N-[2-(2,2-dimethylpyrrolidin-1-yl)ethyl]-1,5-naphthyridin-3-amine
CID 146661905
6-[5-(5-chloro-2,4-difluorophenyl)-1H-pyrazol-4-yl]-N-[[(2R)-piperidin-2-yl]methyl]-1,5-naphthyridin-3-amine
CID 146661784
6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-N-[2-methyl-1-(4-methylpiperazin-1-yl)propan-2-yl]-1,5-naphthyridin-3-amine
CID 146662257
2-[5-(5-fluoro-6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-7-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-2-yl)-1,5-naphthyridine
CID 167366510
2-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-7-(3,6-diazabicyclo[3.2.0]heptan-6-yl)-1,5-naphthyridine
CID 146662005
N-[1-[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]azetidin-3-yl]methanimine
CID 149452717
3-fluoro-4-methoxy-N-methyl-N-(2-piperazin-1-ylethyl)aniline
CID 115230323
2-[5-(5-chloro-2,4-difluorophenyl)-2H-pyrrol-4-yl]-7-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)-1,5-naphthyridine
CID 159497148
6-[5-(5-chloro-2,4-difluorophenyl)-2H-pyrrol-4-yl]-N-[2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]ethyl]-1,5-naphthyridin-3-amine
CID 158575853

Frequently Asked Questions

What is the IUPAC name of 6-[5-(5-chloro-2,4-difluorophenyl)-1H-pyrazol-4-yl]-N-methyl-N-(2-piperazin-1-ylethyl)-1,5-naphthyridin-3-amine?
The IUPAC name of 6-[5-(5-chloro-2,4-difluorophenyl)-1H-pyrazol-4-yl]-N-methyl-N-(2-piperazin-1-ylethyl)-1,5-naphthyridin-3-amine (CID 146662239) is 6-[5-(5-chloro-2,4-difluorophenyl)-1H-pyrazol-4-yl]-N-methyl-N-(2-piperazin-1-ylethyl)-1,5-naphthyridin-3-amine.
What is the SMILES notation for 6-[5-(5-chloro-2,4-difluorophenyl)-1H-pyrazol-4-yl]-N-methyl-N-(2-piperazin-1-ylethyl)-1,5-naphthyridin-3-amine?
The canonical SMILES for 6-[5-(5-chloro-2,4-difluorophenyl)-1H-pyrazol-4-yl]-N-methyl-N-(2-piperazin-1-ylethyl)-1,5-naphthyridin-3-amine is CN(CCN1CCNCC1)c1cnc2ccc(-c3cn[nH]c3-c3cc(Cl)c(F)cc3F)nc2c1.
What is the InChIKey of 6-[5-(5-chloro-2,4-difluorophenyl)-1H-pyrazol-4-yl]-N-methyl-N-(2-piperazin-1-ylethyl)-1,5-naphthyridin-3-amine?
The InChIKey is QUSAXPPJQUDNLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClF2N7/c1-33(8-9-34-6-4-28-5-7-34)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-methyl-N-(2-piperazin-1-ylethyl)-1,5-naphthyridin-3-amine?
6-[5-(5-chloro-2,4-difluorophenyl)-1H-pyrazol-4-yl]-N-methyl-N-(2-piperazin-1-ylethyl)-1,5-naphthyridin-3-amine has a molecular weight of 483.95 g/mol, XLogP of 3.96, 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-methyl-N-(2-piperazin-1-ylethyl)-1,5-naphthyridin-3-amine is sourced from PubChem (CID 146662239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).