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

C25H29N7O — CID 147995792

IUPAC2-[2-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1,6-naphthyridin-7-yl]-1-(1-propan-2-ylpyrazol-4-yl)ethanone
SMILESCC(C)n1cc(C(=O)Cc2cc3nc(-c4cnn(C5CCN(C)CC5)c4)ccc3cn2)cn1
InChIInChI=1S/C25H29N7O/c1-17(2)31-16-20(14-27-31)25(33)11-21-10-24-18(12-26-21)4-5-23(29-24)19-13-28-32(15-19)22-6-8-30(3)9-7-22/h4-5,10,12-17,22H,6-9,11H2,1-3H3
InChIKeyIVZBVXWAFWUAQI-UHFFFAOYSA-N
MW443.56 g/mol
LogP3.96
Rot. Bonds6

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

2-[2-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1,6-naphthyridin-7-yl]-1-(1-propan-2-ylpyrazol-4-yl)ethanone (PubChem CID 147995792) has the molecular formula C25H29N7O and a molecular weight of 443.56 g/mol. Its IUPAC name is 2-[2-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1,6-naphthyridin-7-yl]-1-(1-propan-2-ylpyrazol-4-yl)ethanone.

Molecular Properties

Compound Name2-[2-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1,6-naphthyridin-7-yl]-1-(1-propan-2-ylpyrazol-4-yl)ethanone
PubChem CID147995792
Molecular FormulaC25H29N7O
Molecular Weight443.56 g/mol
Exact Mass443.24
IUPAC Name2-[2-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1,6-naphthyridin-7-yl]-1-(1-propan-2-ylpyrazol-4-yl)ethanone
SMILESCC(C)n1cc(C(=O)Cc2cc3nc(-c4cnn(C5CCN(C)CC5)c4)ccc3cn2)cn1
InChIInChI=1S/C25H29N7O/c1-17(2)31-16-20(14-27-31)25(33)11-21-10-24-18(12-26-21)4-5-23(29-24)19-13-28-32(15-19)22-6-8-30(3)9-7-22/h4-5,10,12-17,22H,6-9,11H2,1-3H3
InChIKeyIVZBVXWAFWUAQI-UHFFFAOYSA-N
XLogP3.96
TPSA81.73 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.56
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

N-methyl-5-[2-[2-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1,6-naphthyridin-7-yl]acetyl]pyridine-2-carboxamide
CID 157466044
2-methyl-N-[2-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1,6-naphthyridin-7-yl]-1,3-thiazole-5-carboxamide
CID 138589819
2-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]-1-[2-(1-propan-2-ylpiperidin-4-yl)-1,3-thiazol-4-yl]ethanone
CID 158326417
3-methyl-5-N-[2-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1,6-naphthyridin-7-yl]pyridine-2,5-dicarboxamide
CID 138590958
1-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)-2,7-naphthyridin-3-yl]ethanone
CID 148656617
1-[3-chloro-2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]ethanone
CID 162264664
2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-(1-propan-2-ylpyrazol-4-yl)ethanone
CID 161237811
1-(4-aminocyclohexyl)-2-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]ethanone
CID 157443965
1-(1,3-benzothiazol-6-yl)-2-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]ethanone
CID 160631590
1-(1-ethylpiperidin-4-yl)-N-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]pyrazole-4-carboxamide
CID 138591491
1-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-2-[6-[1-(trideuteriomethyl)pyrazol-4-yl]cinnolin-3-yl]ethanone
CID 148875521
1-[1-[1-(2-fluoroethyl)piperidin-4-yl]pyrazol-4-yl]-2-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]ethanone
CID 147845265

Frequently Asked Questions

What is the IUPAC name of 2-[2-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1,6-naphthyridin-7-yl]-1-(1-propan-2-ylpyrazol-4-yl)ethanone?
The IUPAC name of 2-[2-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1,6-naphthyridin-7-yl]-1-(1-propan-2-ylpyrazol-4-yl)ethanone (CID 147995792) is 2-[2-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1,6-naphthyridin-7-yl]-1-(1-propan-2-ylpyrazol-4-yl)ethanone.
What is the SMILES notation for 2-[2-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1,6-naphthyridin-7-yl]-1-(1-propan-2-ylpyrazol-4-yl)ethanone?
The canonical SMILES for 2-[2-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1,6-naphthyridin-7-yl]-1-(1-propan-2-ylpyrazol-4-yl)ethanone is CC(C)n1cc(C(=O)Cc2cc3nc(-c4cnn(C5CCN(C)CC5)c4)ccc3cn2)cn1.
What is the InChIKey of 2-[2-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1,6-naphthyridin-7-yl]-1-(1-propan-2-ylpyrazol-4-yl)ethanone?
The InChIKey is IVZBVXWAFWUAQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N7O/c1-17(2)31-16-20(14-27-31)25(33)11-21-10-24-18(12-26-21)4-5-23(29-24)19-13-28-32(15-19)22-6-8-30(3)9-7-22/h4-5,10,12-17,22H,6-9,11H2,1-3H3.
What are the key properties of 2-[2-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1,6-naphthyridin-7-yl]-1-(1-propan-2-ylpyrazol-4-yl)ethanone?
2-[2-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1,6-naphthyridin-7-yl]-1-(1-propan-2-ylpyrazol-4-yl)ethanone has a molecular weight of 443.56 g/mol, XLogP of 3.96, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1,6-naphthyridin-7-yl]-1-(1-propan-2-ylpyrazol-4-yl)ethanone is sourced from PubChem (CID 147995792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).