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

C24H24ClFN6 — CID 146661721

IUPAC6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-N-methyl-N-(1-methylpiperidin-4-yl)-1,5-naphthyridin-3-amine
SMILESCN1CCC(N(C)c2cnc3ccc(-c4cn[nH]c4-c4cc(Cl)ccc4F)nc3c2)CC1
InChIInChI=1S/C24H24ClFN6/c1-31-9-7-16(8-10-31)32(2)17-12-23-22(27-13-17)6-5-21(29-23)19-14-28-30-24(19)18-11-15(25)3-4-20(18)26/h3-6,11-14,16H,7-10H2,1-2H3,(H,28,30)
InChIKeyACIKKXDDMPYFJH-UHFFFAOYSA-N
MW450.95 g/mol
LogP5.01
Rot. Bonds4

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

6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-N-methyl-N-(1-methylpiperidin-4-yl)-1,5-naphthyridin-3-amine (PubChem CID 146661721) has the molecular formula C24H24ClFN6 and a molecular weight of 450.95 g/mol. Its IUPAC name is 6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-N-methyl-N-(1-methylpiperidin-4-yl)-1,5-naphthyridin-3-amine.

Molecular Properties

Compound Name6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-N-methyl-N-(1-methylpiperidin-4-yl)-1,5-naphthyridin-3-amine
PubChem CID146661721
Molecular FormulaC24H24ClFN6
Molecular Weight450.95 g/mol
Exact Mass450.17
IUPAC Name6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-N-methyl-N-(1-methylpiperidin-4-yl)-1,5-naphthyridin-3-amine
SMILESCN1CCC(N(C)c2cnc3ccc(-c4cn[nH]c4-c4cc(Cl)ccc4F)nc3c2)CC1
InChIInChI=1S/C24H24ClFN6/c1-31-9-7-16(8-10-31)32(2)17-12-23-22(27-13-17)6-5-21(29-23)19-14-28-30-24(19)18-11-15(25)3-4-20(18)26/h3-6,11-14,16H,7-10H2,1-2H3,(H,28,30)
InChIKeyACIKKXDDMPYFJH-UHFFFAOYSA-N
XLogP5.01
TPSA60.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.95
LogP ≤ 55.01
H-Bond Donors ≤ 51
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-methyl-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-methyl-N-(1-methylpiperidin-4-yl)-1,5-naphthyridin-3-amine (CID 146661721) is 6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-N-methyl-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-methyl-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-methyl-N-(1-methylpiperidin-4-yl)-1,5-naphthyridin-3-amine is CN1CCC(N(C)c2cnc3ccc(-c4cn[nH]c4-c4cc(Cl)ccc4F)nc3c2)CC1.
What is the InChIKey of 6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-N-methyl-N-(1-methylpiperidin-4-yl)-1,5-naphthyridin-3-amine?
The InChIKey is ACIKKXDDMPYFJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClFN6/c1-31-9-7-16(8-10-31)32(2)17-12-23-22(27-13-17)6-5-21(29-23)19-14-28-30-24(19)18-11-15(25)3-4-20(18)26/h3-6,11-14,16H,7-10H2,1-2H3,(H,28,30).
What are the key properties of 6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-N-methyl-N-(1-methylpiperidin-4-yl)-1,5-naphthyridin-3-amine?
6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-N-methyl-N-(1-methylpiperidin-4-yl)-1,5-naphthyridin-3-amine has a molecular weight of 450.95 g/mol, XLogP of 5.01, 4 rotatable bonds, 1 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-methyl-N-(1-methylpiperidin-4-yl)-1,5-naphthyridin-3-amine is sourced from PubChem (CID 146661721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).