1-(1-acetylpiperidin-4-yl)-3-methyl-8-(3-pyrazol-1-ylphenyl)imidazo[4,5-c][1,5]naphthyridin-2-one

C26H25N7O2 — CID 58379611

IUPAC1-(1-acetylpiperidin-4-yl)-3-methyl-8-(3-pyrazol-1-ylphenyl)imidazo[4,5-c][1,5]naphthyridin-2-one
SMILESCC(=O)N1CCC(n2c(=O)n(C)c3cnc4ccc(-c5cccc(-n6cccn6)c5)nc4c32)CC1
InChIInChI=1S/C26H25N7O2/c1-17(34)31-13-9-19(10-14-31)33-25-23(30(2)26(33)35)16-27-22-8-7-21(29-24(22)25)18-5-3-6-20(15-18)32-12-4-11-28-32/h3-8,11-12,15-16,19H,9-10,13-14H2,1-2H3
InChIKeyCHFONHSNLYFYPA-UHFFFAOYSA-N
MW467.53 g/mol
LogP3.32
Rot. Bonds3

About 1-(1-acetylpiperidin-4-yl)-3-methyl-8-(3-pyrazol-1-ylphenyl)imidazo[4,5-c][1,5]naphthyridin-2-one

1-(1-acetylpiperidin-4-yl)-3-methyl-8-(3-pyrazol-1-ylphenyl)imidazo[4,5-c][1,5]naphthyridin-2-one (PubChem CID 58379611) has the molecular formula C26H25N7O2 and a molecular weight of 467.53 g/mol. Its IUPAC name is 1-(1-acetylpiperidin-4-yl)-3-methyl-8-(3-pyrazol-1-ylphenyl)imidazo[4,5-c][1,5]naphthyridin-2-one.

Molecular Properties

Compound Name1-(1-acetylpiperidin-4-yl)-3-methyl-8-(3-pyrazol-1-ylphenyl)imidazo[4,5-c][1,5]naphthyridin-2-one
PubChem CID58379611
Molecular FormulaC26H25N7O2
Molecular Weight467.53 g/mol
Exact Mass467.21
IUPAC Name1-(1-acetylpiperidin-4-yl)-3-methyl-8-(3-pyrazol-1-ylphenyl)imidazo[4,5-c][1,5]naphthyridin-2-one
SMILESCC(=O)N1CCC(n2c(=O)n(C)c3cnc4ccc(-c5cccc(-n6cccn6)c5)nc4c32)CC1
InChIInChI=1S/C26H25N7O2/c1-17(34)31-13-9-19(10-14-31)33-25-23(30(2)26(33)35)16-27-22-8-7-21(29-24(22)25)18-5-3-6-20(15-18)32-12-4-11-28-32/h3-8,11-12,15-16,19H,9-10,13-14H2,1-2H3
InChIKeyCHFONHSNLYFYPA-UHFFFAOYSA-N
XLogP3.32
TPSA90.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.53
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

PF-04979064
CID 46866705
1-{3-[3-(1-methyl-1H-pyrazol-4-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}ethan-1-one
CID 132186523
1-[4-[3-[4-Amino-5-[2-(oxan-4-yl)pyrazol-3-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]phenyl]piperazin-1-yl]ethanone
CID 132209868
1-(1-acetylpiperidin-4-yl)-3-methyl-8-(1H-pyrazolo[3,4-b]pyridin-5-yl)imidazo[4,5-c][1,5]naphthyridin-2-one
CID 58379501
1-[1-(2-Hydroxyacetyl)piperidin-4-yl]-3-methyl-8-(6-methyl-3-pyridinyl)imidazo[4,5-c][1,5]naphthyridin-2-one
CID 58379507
1-[1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]-8-(1H-indazol-4-yl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one
CID 58379533
1-(1-acetylpiperidin-4-yl)-8-(1H-indazol-4-yl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one
CID 58379595
1-[1-(2-Methoxyacetyl)piperidin-4-yl]-3-methyl-8-(6-methyl-3-pyridinyl)imidazo[4,5-c][1,5]naphthyridin-2-one
CID 58379663
1-[4-[3-[4-Amino-5-[2-(oxan-4-yl)pyrazol-3-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]phenyl]-2-pyridin-3-ylpiperazin-1-yl]ethanone
CID 130363082
1-[4-[3-[4-Amino-5-[2-(oxan-4-yl)pyrazol-3-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]phenyl]-3-pyridin-3-ylpiperazin-1-yl]ethanone
CID 130363172
1-[(2S,6R)-4-[3-[4-amino-5-[2-(oxan-4-yl)pyrazol-3-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]phenyl]-2,6-dimethylpiperazin-1-yl]ethanone
CID 130363443
1-[(3S)-4-[3-[4-amino-5-[2-(oxan-4-yl)pyrazol-3-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]phenyl]-3-methylpiperazin-1-yl]ethanone
CID 132209957

Frequently Asked Questions

What is the IUPAC name of 1-(1-acetylpiperidin-4-yl)-3-methyl-8-(3-pyrazol-1-ylphenyl)imidazo[4,5-c][1,5]naphthyridin-2-one?
The IUPAC name of 1-(1-acetylpiperidin-4-yl)-3-methyl-8-(3-pyrazol-1-ylphenyl)imidazo[4,5-c][1,5]naphthyridin-2-one (CID 58379611) is 1-(1-acetylpiperidin-4-yl)-3-methyl-8-(3-pyrazol-1-ylphenyl)imidazo[4,5-c][1,5]naphthyridin-2-one.
What is the SMILES notation for 1-(1-acetylpiperidin-4-yl)-3-methyl-8-(3-pyrazol-1-ylphenyl)imidazo[4,5-c][1,5]naphthyridin-2-one?
The canonical SMILES for 1-(1-acetylpiperidin-4-yl)-3-methyl-8-(3-pyrazol-1-ylphenyl)imidazo[4,5-c][1,5]naphthyridin-2-one is CC(=O)N1CCC(n2c(=O)n(C)c3cnc4ccc(-c5cccc(-n6cccn6)c5)nc4c32)CC1.
What is the InChIKey of 1-(1-acetylpiperidin-4-yl)-3-methyl-8-(3-pyrazol-1-ylphenyl)imidazo[4,5-c][1,5]naphthyridin-2-one?
The InChIKey is CHFONHSNLYFYPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N7O2/c1-17(34)31-13-9-19(10-14-31)33-25-23(30(2)26(33)35)16-27-22-8-7-21(29-24(22)25)18-5-3-6-20(15-18)32-12-4-11-28-32/h3-8,11-12,15-16,19H,9-10,13-14H2,1-2H3.
What are the key properties of 1-(1-acetylpiperidin-4-yl)-3-methyl-8-(3-pyrazol-1-ylphenyl)imidazo[4,5-c][1,5]naphthyridin-2-one?
1-(1-acetylpiperidin-4-yl)-3-methyl-8-(3-pyrazol-1-ylphenyl)imidazo[4,5-c][1,5]naphthyridin-2-one has a molecular weight of 467.53 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-acetylpiperidin-4-yl)-3-methyl-8-(3-pyrazol-1-ylphenyl)imidazo[4,5-c][1,5]naphthyridin-2-one is sourced from PubChem (CID 58379611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).