1-(4-fluorophenyl)-2-[3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1,7-naphthyridin-6-yl]ethanone

C25H24FN5O — CID 160849350

IUPAC1-(4-fluorophenyl)-2-[3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1,7-naphthyridin-6-yl]ethanone
SMILESCN1CCC(n2cc(-c3cnc4cnc(CC(=O)c5ccc(F)cc5)cc4c3)cn2)CC1
InChIInChI=1S/C25H24FN5O/c1-30-8-6-23(7-9-30)31-16-20(14-29-31)19-10-18-11-22(27-15-24(18)28-13-19)12-25(32)17-2-4-21(26)5-3-17/h2-5,10-11,13-16,23H,6-9,12H2,1H3
InChIKeySJBBTNXGVHETDA-UHFFFAOYSA-N
MW429.50 g/mol
LogP4.32
Rot. Bonds5

About 1-(4-fluorophenyl)-2-[3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1,7-naphthyridin-6-yl]ethanone

1-(4-fluorophenyl)-2-[3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1,7-naphthyridin-6-yl]ethanone (PubChem CID 160849350) has the molecular formula C25H24FN5O and a molecular weight of 429.50 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-[3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1,7-naphthyridin-6-yl]ethanone.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-[3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1,7-naphthyridin-6-yl]ethanone
PubChem CID160849350
Molecular FormulaC25H24FN5O
Molecular Weight429.50 g/mol
Exact Mass429.20
IUPAC Name1-(4-fluorophenyl)-2-[3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1,7-naphthyridin-6-yl]ethanone
SMILESCN1CCC(n2cc(-c3cnc4cnc(CC(=O)c5ccc(F)cc5)cc4c3)cn2)CC1
InChIInChI=1S/C25H24FN5O/c1-30-8-6-23(7-9-30)31-16-20(14-29-31)19-10-18-11-22(27-15-24(18)28-13-19)12-25(32)17-2-4-21(26)5-3-17/h2-5,10-11,13-16,23H,6-9,12H2,1H3
InChIKeySJBBTNXGVHETDA-UHFFFAOYSA-N
XLogP4.32
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.50
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridine-2-carboxamide
CID 118660644
8-[4-(1-Methylpyrazol-4-yl)phenyl]-1,6-naphthyridine-2-carboxamide
CID 118660845
(R)-(3-methyl-4-(5-phenylpyrido[2,3-d]pyridazin-8-yl)piperazin-1-yl)(phenyl)methanone
CID 25224531
(R)-(3-methyl-4-(8-phenylpyrido[3,2-d]pyridazin-5-yl)piperazin-1-yl)(phenyl)methanone
CID 25224707
1-Pyridin-4-yl-3-(2-quinolin-4-ylpyrazol-3-yl)pyridazin-4-one
CID 46873747
3-((3-(6-Methylpyridin-2-yl)-4-(quinolin-6-yl)-1H-pyrazol-1-yl)methyl)benzamide
CID 46907143
3-((3-(6-Methylpyridin-2-yl)-4-(1,5-naphthyridin-2-yl)-1H-pyrazol-1-yl)methyl)benzamide
CID 46907145
3-((4-(6-Methylpyridin-2-yl)-3-(quinolin-6-yl)-1H-pyrazol-1-yl)methyl)benzamide
CID 46907179
N-ethyl-N-[2-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]ethyl]-2-(triazol-2-yl)benzamide
CID 57389637
Propan-2-yl 4-[5-(4-carbamoyl-2-fluorophenyl)pyrazolo[3,4-c]pyridin-1-yl]piperidine-1-carboxylate
CID 68022271
(3,3-Difluoroazetidin-1-yl)-[8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]methanone
CID 118660717
azetidin-1-yl(8-(4-(1-methyl-1H-pyrazol-4-yl)phenyl)-1,6-naphthyridin-2-yl)methanone
CID 118660778

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-[3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1,7-naphthyridin-6-yl]ethanone?
The IUPAC name of 1-(4-fluorophenyl)-2-[3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1,7-naphthyridin-6-yl]ethanone (CID 160849350) is 1-(4-fluorophenyl)-2-[3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1,7-naphthyridin-6-yl]ethanone.
What is the SMILES notation for 1-(4-fluorophenyl)-2-[3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1,7-naphthyridin-6-yl]ethanone?
The canonical SMILES for 1-(4-fluorophenyl)-2-[3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1,7-naphthyridin-6-yl]ethanone is CN1CCC(n2cc(-c3cnc4cnc(CC(=O)c5ccc(F)cc5)cc4c3)cn2)CC1.
What is the InChIKey of 1-(4-fluorophenyl)-2-[3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1,7-naphthyridin-6-yl]ethanone?
The InChIKey is SJBBTNXGVHETDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN5O/c1-30-8-6-23(7-9-30)31-16-20(14-29-31)19-10-18-11-22(27-15-24(18)28-13-19)12-25(32)17-2-4-21(26)5-3-17/h2-5,10-11,13-16,23H,6-9,12H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-2-[3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1,7-naphthyridin-6-yl]ethanone?
1-(4-fluorophenyl)-2-[3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1,7-naphthyridin-6-yl]ethanone has a molecular weight of 429.50 g/mol, XLogP of 4.32, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-[3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1,7-naphthyridin-6-yl]ethanone is sourced from PubChem (CID 160849350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).