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

C23H22ClFN6 — CID 146661847

IUPAC6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-N-(1-methylpiperidin-4-yl)-1,5-naphthyridin-3-amine
SMILESCN1CCC(Nc2cnc3ccc(-c4cn[nH]c4-c4cc(Cl)ccc4F)nc3c2)CC1
InChIInChI=1S/C23H22ClFN6/c1-31-8-6-15(7-9-31)28-16-11-22-21(26-12-16)5-4-20(29-22)18-13-27-30-23(18)17-10-14(24)2-3-19(17)25/h2-5,10-13,15,28H,6-9H2,1H3,(H,27,30)
InChIKeyGGHRQDHKNOTKSQ-UHFFFAOYSA-N
MW436.92 g/mol
LogP4.99
Rot. Bonds4

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

6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-N-(1-methylpiperidin-4-yl)-1,5-naphthyridin-3-amine (PubChem CID 146661847) has the molecular formula C23H22ClFN6 and a molecular weight of 436.92 g/mol. Its IUPAC name is 6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-N-(1-methylpiperidin-4-yl)-1,5-naphthyridin-3-amine.

Molecular Properties

Compound Name6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-N-(1-methylpiperidin-4-yl)-1,5-naphthyridin-3-amine
PubChem CID146661847
Molecular FormulaC23H22ClFN6
Molecular Weight436.92 g/mol
Exact Mass436.16
IUPAC Name6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-N-(1-methylpiperidin-4-yl)-1,5-naphthyridin-3-amine
SMILESCN1CCC(Nc2cnc3ccc(-c4cn[nH]c4-c4cc(Cl)ccc4F)nc3c2)CC1
InChIInChI=1S/C23H22ClFN6/c1-31-8-6-15(7-9-31)28-16-11-22-21(26-12-16)5-4-20(29-22)18-13-27-30-23(18)17-10-14(24)2-3-19(17)25/h2-5,10-13,15,28H,6-9H2,1H3,(H,27,30)
InChIKeyGGHRQDHKNOTKSQ-UHFFFAOYSA-N
XLogP4.99
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.92
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-N-(1-methylpiperidin-4-yl)-1,5-naphthyridin-3-amine?
The IUPAC name of 6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-N-(1-methylpiperidin-4-yl)-1,5-naphthyridin-3-amine (CID 146661847) is 6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-N-(1-methylpiperidin-4-yl)-1,5-naphthyridin-3-amine.
What is the SMILES notation for 6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-N-(1-methylpiperidin-4-yl)-1,5-naphthyridin-3-amine?
The canonical SMILES for 6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-N-(1-methylpiperidin-4-yl)-1,5-naphthyridin-3-amine is CN1CCC(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-(1-methylpiperidin-4-yl)-1,5-naphthyridin-3-amine?
The InChIKey is GGHRQDHKNOTKSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClFN6/c1-31-8-6-15(7-9-31)28-16-11-22-21(26-12-16)5-4-20(29-22)18-13-27-30-23(18)17-10-14(24)2-3-19(17)25/h2-5,10-13,15,28H,6-9H2,1H3,(H,27,30).
What are the key properties of 6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-N-(1-methylpiperidin-4-yl)-1,5-naphthyridin-3-amine?
6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-N-(1-methylpiperidin-4-yl)-1,5-naphthyridin-3-amine has a molecular weight of 436.92 g/mol, XLogP of 4.99, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-N-(1-methylpiperidin-4-yl)-1,5-naphthyridin-3-amine is sourced from PubChem (CID 146661847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).