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

C27H24ClFN8 — CID 146662173

IUPAC6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-1,5-naphthyridin-3-amine
SMILESCN1CCN(c2ccc(Nc3cnc4ccc(-c5cn[nH]c5-c5cc(Cl)ccc5F)nc4c3)nc2)CC1
InChIInChI=1S/C27H24ClFN8/c1-36-8-10-37(11-9-36)19-3-7-26(31-15-19)33-18-13-25-24(30-14-18)6-5-23(34-25)21-16-32-35-27(21)20-12-17(28)2-4-22(20)29/h2-7,12-16H,8-11H2,1H3,(H,31,33)(H,32,35)
InChIKeyTYPOVOCBEVATLW-UHFFFAOYSA-N
MW515.00 g/mol
LogP5.37
Rot. Bonds5

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

6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-1,5-naphthyridin-3-amine (PubChem CID 146662173) has the molecular formula C27H24ClFN8 and a molecular weight of 515.00 g/mol. Its IUPAC name is 6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-1,5-naphthyridin-3-amine.

Molecular Properties

Compound Name6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-1,5-naphthyridin-3-amine
PubChem CID146662173
Molecular FormulaC27H24ClFN8
Molecular Weight515.00 g/mol
Exact Mass514.18
IUPAC Name6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-1,5-naphthyridin-3-amine
SMILESCN1CCN(c2ccc(Nc3cnc4ccc(-c5cn[nH]c5-c5cc(Cl)ccc5F)nc4c3)nc2)CC1
InChIInChI=1S/C27H24ClFN8/c1-36-8-10-37(11-9-36)19-3-7-26(31-15-19)33-18-13-25-24(30-14-18)6-5-23(34-25)21-16-32-35-27(21)20-12-17(28)2-4-22(20)29/h2-7,12-16H,8-11H2,1H3,(H,31,33)(H,32,35)
InChIKeyTYPOVOCBEVATLW-UHFFFAOYSA-N
XLogP5.37
TPSA85.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.00
LogP ≤ 55.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-1,5-naphthyridin-3-amine with MolForge

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Related Compounds

4-(5-chloro-3-isopropyl-1H-pyrazol-4-yl)-N-(5-(4-(dimethylamino)piperidin-1-yl)pyridin-2-yl)pyrimidin-2-amine
CID 49765254
N-(4-chlorophenyl)-8-(pyridin-4-ylmethyl)pyrido[2,3-d]pyridazin-5-amine
CID 6419383
4-[5-Chloro-3-(1-Methylethyl)-1h-Pyrazol-4-Yl]-N-(5-Piperazin-1-Ylpyridin-2-Yl)pyrimidin-2-Amine
CID 49800100
1-[(3P)-3-(3-chloro-2-fluorophenyl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine
CID 132166959
(S)-1-(6-(5-(pyridin-3-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl)pyridin-2-yl)piperidin-3-amine
CID 71253342
3-(6-(piperazin-1-yl)pyridin-2-yl)-5-(pyridin-3-yl)-1H-pyrazolo[3,4-c]pyridine
CID 71253554
5-(1-ethylpyrazol-4-yl)-3-(6-piperazin-1-yl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridine
CID 71253671
5-(1-methyl-1H-pyrazol-4-yl)-3-(6-(piperazin-1-yl)pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridine
CID 71253734
5-(5-methyl-3-pyridinyl)-3-(6-piperazin-1-yl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridine
CID 71253796
5-(1-ethylpyrazol-4-yl)-3-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]-1H-pyrazolo[3,4-c]pyridine
CID 71253958
5-(6-methylpyrazin-2-yl)-3-(6-piperazin-1-yl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridine
CID 71254178
1-[6-[3-(2-fluorophenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyrazin-2-yl]piperidin-4-amine
CID 71254288

Frequently Asked Questions

What is the IUPAC name of 6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-1,5-naphthyridin-3-amine?
The IUPAC name of 6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-1,5-naphthyridin-3-amine (CID 146662173) is 6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-1,5-naphthyridin-3-amine.
What is the SMILES notation for 6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-1,5-naphthyridin-3-amine?
The canonical SMILES for 6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-1,5-naphthyridin-3-amine is CN1CCN(c2ccc(Nc3cnc4ccc(-c5cn[nH]c5-c5cc(Cl)ccc5F)nc4c3)nc2)CC1.
What is the InChIKey of 6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-1,5-naphthyridin-3-amine?
The InChIKey is TYPOVOCBEVATLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24ClFN8/c1-36-8-10-37(11-9-36)19-3-7-26(31-15-19)33-18-13-25-24(30-14-18)6-5-23(34-25)21-16-32-35-27(21)20-12-17(28)2-4-22(20)29/h2-7,12-16H,8-11H2,1H3,(H,31,33)(H,32,35).
What are the key properties of 6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-1,5-naphthyridin-3-amine?
6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-1,5-naphthyridin-3-amine has a molecular weight of 515.00 g/mol, XLogP of 5.37, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-1,5-naphthyridin-3-amine is sourced from PubChem (CID 146662173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).