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

C26H29ClFN7 — CID 146662257

IUPAC6-[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
SMILESCN1CCN(CC(C)(C)Nc2cnc3ccc(-c4cn[nH]c4-c4cc(Cl)ccc4F)nc3c2)CC1
InChIInChI=1S/C26H29ClFN7/c1-26(2,16-35-10-8-34(3)9-11-35)32-18-13-24-23(29-14-18)7-6-22(31-24)20-15-30-33-25(20)19-12-17(27)4-5-21(19)28/h4-7,12-15,32H,8-11,16H2,1-3H3,(H,30,33)
InChIKeyOJLAICDXAXMVFG-UHFFFAOYSA-N
MW494.02 g/mol
LogP4.92
Rot. Bonds6

About 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

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 (PubChem CID 146662257) has the molecular formula C26H29ClFN7 and a molecular weight of 494.02 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-[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
PubChem CID146662257
Molecular FormulaC26H29ClFN7
Molecular Weight494.02 g/mol
Exact Mass493.22
IUPAC Name6-[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
SMILESCN1CCN(CC(C)(C)Nc2cnc3ccc(-c4cn[nH]c4-c4cc(Cl)ccc4F)nc3c2)CC1
InChIInChI=1S/C26H29ClFN7/c1-26(2,16-35-10-8-34(3)9-11-35)32-18-13-24-23(29-14-18)7-6-22(31-24)20-15-30-33-25(20)19-12-17(27)4-5-21(19)28/h4-7,12-15,32H,8-11,16H2,1-3H3,(H,30,33)
InChIKeyOJLAICDXAXMVFG-UHFFFAOYSA-N
XLogP4.92
TPSA72.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.02
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-N-(1-methylpiperidin-4-yl)-1,5-naphthyridin-3-amine
CID 146661847
6-[5-(5-chloro-2,4-difluorophenyl)-1H-pyrazol-4-yl]-N-(2-pyrrolidin-1-ylethyl)-1,5-naphthyridin-3-amine
CID 146661817
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
N-[1-[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]azetidin-3-yl]methanimine
CID 149452717
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
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
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-2,4-difluorophenyl)-1H-pyrazol-4-yl]-N-methyl-N-(2-piperazin-1-ylethyl)-1,5-naphthyridin-3-amine
CID 146662239
methyl 2-[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]-1,3-oxazole-4-carboxylate
CID 146662088
2-[5-(3,4-difluorophenyl)-1H-pyrazol-4-yl]-7-(4-propan-2-ylpiperazin-1-yl)-1,5-naphthyridine
CID 146661723
N-[6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]-3-(4-propan-2-ylpiperazin-1-yl)propanamide
CID 167366906
methyl 2-[4-[2-[[6-[4-(5-chloro-2-fluorophenyl)-1H-imidazol-5-yl]-1,5-naphthyridin-3-yl]amino]ethyl]piperazin-2-yl]acetate
CID 146662046

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CN1CCN(CC(C)(C)Nc2cnc3ccc(-c4cn[nH]c4-c4cc(Cl)ccc4F)nc3c2)CC1.
What is the InChIKey of 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?
The InChIKey is OJLAICDXAXMVFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29ClFN7/c1-26(2,16-35-10-8-34(3)9-11-35)32-18-13-24-23(29-14-18)7-6-22(31-24)20-15-30-33-25(20)19-12-17(27)4-5-21(19)28/h4-7,12-15,32H,8-11,16H2,1-3H3,(H,30,33).
What are the key properties of 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?
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 has a molecular weight of 494.02 g/mol, XLogP of 4.92, 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-fluorophenyl)-1H-pyrazol-4-yl]-N-[2-methyl-1-(4-methylpiperazin-1-yl)propan-2-yl]-1,5-naphthyridin-3-amine is sourced from PubChem (CID 146662257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).