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

C23H19ClFN7 — CID 146661728

IUPAC2-[4-[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]pyrazol-1-yl]-N-methylethanamine
SMILESCNCCn1cc(-c2cnc3ccc(-c4cn[nH]c4-c4cc(Cl)ccc4F)nc3c2)cn1
InChIInChI=1S/C23H19ClFN7/c1-26-6-7-32-13-15(11-29-32)14-8-22-21(27-10-14)5-4-20(30-22)18-12-28-31-23(18)17-9-16(24)2-3-19(17)25/h2-5,8-13,26H,6-7H2,1H3,(H,28,31)
InChIKeyJRDJYIYUOLLACG-UHFFFAOYSA-N
MW447.91 g/mol
LogP4.56
Rot. Bonds6

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

2-[4-[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]pyrazol-1-yl]-N-methylethanamine (PubChem CID 146661728) has the molecular formula C23H19ClFN7 and a molecular weight of 447.91 g/mol. Its IUPAC name is 2-[4-[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]pyrazol-1-yl]-N-methylethanamine.

Molecular Properties

Compound Name2-[4-[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]pyrazol-1-yl]-N-methylethanamine
PubChem CID146661728
Molecular FormulaC23H19ClFN7
Molecular Weight447.91 g/mol
Exact Mass447.14
IUPAC Name2-[4-[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]pyrazol-1-yl]-N-methylethanamine
SMILESCNCCn1cc(-c2cnc3ccc(-c4cn[nH]c4-c4cc(Cl)ccc4F)nc3c2)cn1
InChIInChI=1S/C23H19ClFN7/c1-26-6-7-32-13-15(11-29-32)14-8-22-21(27-10-14)5-4-20(30-22)18-12-28-31-23(18)17-9-16(24)2-3-19(17)25/h2-5,8-13,26H,6-7H2,1H3,(H,28,31)
InChIKeyJRDJYIYUOLLACG-UHFFFAOYSA-N
XLogP4.56
TPSA84.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.91
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]pyrazol-1-yl]-N-methylethanamine?
The IUPAC name of 2-[4-[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]pyrazol-1-yl]-N-methylethanamine (CID 146661728) is 2-[4-[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]pyrazol-1-yl]-N-methylethanamine.
What is the SMILES notation for 2-[4-[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]pyrazol-1-yl]-N-methylethanamine?
The canonical SMILES for 2-[4-[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]pyrazol-1-yl]-N-methylethanamine is CNCCn1cc(-c2cnc3ccc(-c4cn[nH]c4-c4cc(Cl)ccc4F)nc3c2)cn1.
What is the InChIKey of 2-[4-[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]pyrazol-1-yl]-N-methylethanamine?
The InChIKey is JRDJYIYUOLLACG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClFN7/c1-26-6-7-32-13-15(11-29-32)14-8-22-21(27-10-14)5-4-20(30-22)18-12-28-31-23(18)17-9-16(24)2-3-19(17)25/h2-5,8-13,26H,6-7H2,1H3,(H,28,31).
What are the key properties of 2-[4-[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]pyrazol-1-yl]-N-methylethanamine?
2-[4-[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]pyrazol-1-yl]-N-methylethanamine has a molecular weight of 447.91 g/mol, XLogP of 4.56, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]pyrazol-1-yl]-N-methylethanamine is sourced from PubChem (CID 146661728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).