4-[8-[1-(2-hydroxyethyl)pyrazol-4-yl]-3-methyl-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]cyclohexane-1-carboxamide

C22H25N7O3 — CID 58379608

IUPAC4-[8-[1-(2-hydroxyethyl)pyrazol-4-yl]-3-methyl-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]cyclohexane-1-carboxamide
SMILESCn1c(=O)n(C2CCC(C(N)=O)CC2)c2c3nc(-c4cnn(CCO)c4)ccc3ncc21
InChIInChI=1S/C22H25N7O3/c1-27-18-11-24-17-7-6-16(14-10-25-28(12-14)8-9-30)26-19(17)20(18)29(22(27)32)15-4-2-13(3-5-15)21(23)31/h6-7,10-13,15,30H,2-5,8-9H2,1H3,(H2,23,31)
InChIKeyHJEAAYNELPFMHP-UHFFFAOYSA-N
MW435.49 g/mol
LogP1.36
Rot. Bonds5

About 4-[8-[1-(2-hydroxyethyl)pyrazol-4-yl]-3-methyl-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]cyclohexane-1-carboxamide

4-[8-[1-(2-hydroxyethyl)pyrazol-4-yl]-3-methyl-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]cyclohexane-1-carboxamide (PubChem CID 58379608) has the molecular formula C22H25N7O3 and a molecular weight of 435.49 g/mol. Its IUPAC name is 4-[8-[1-(2-hydroxyethyl)pyrazol-4-yl]-3-methyl-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-[8-[1-(2-hydroxyethyl)pyrazol-4-yl]-3-methyl-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]cyclohexane-1-carboxamide
PubChem CID58379608
Molecular FormulaC22H25N7O3
Molecular Weight435.49 g/mol
Exact Mass435.20
IUPAC Name4-[8-[1-(2-hydroxyethyl)pyrazol-4-yl]-3-methyl-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]cyclohexane-1-carboxamide
SMILESCn1c(=O)n(C2CCC(C(N)=O)CC2)c2c3nc(-c4cnn(CCO)c4)ccc3ncc21
InChIInChI=1S/C22H25N7O3/c1-27-18-11-24-17-7-6-16(14-10-25-28(12-14)8-9-30)26-19(17)20(18)29(22(27)32)15-4-2-13(3-5-15)21(23)31/h6-7,10-13,15,30H,2-5,8-9H2,1H3,(H2,23,31)
InChIKeyHJEAAYNELPFMHP-UHFFFAOYSA-N
XLogP1.36
TPSA133.85 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.49
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-[8-[1-(2-hydroxyethyl)pyrazol-4-yl]-3-methyl-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]cyclohexane-1-carboxamide?
The IUPAC name of 4-[8-[1-(2-hydroxyethyl)pyrazol-4-yl]-3-methyl-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]cyclohexane-1-carboxamide (CID 58379608) is 4-[8-[1-(2-hydroxyethyl)pyrazol-4-yl]-3-methyl-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-[8-[1-(2-hydroxyethyl)pyrazol-4-yl]-3-methyl-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-[8-[1-(2-hydroxyethyl)pyrazol-4-yl]-3-methyl-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]cyclohexane-1-carboxamide is Cn1c(=O)n(C2CCC(C(N)=O)CC2)c2c3nc(-c4cnn(CCO)c4)ccc3ncc21.
What is the InChIKey of 4-[8-[1-(2-hydroxyethyl)pyrazol-4-yl]-3-methyl-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]cyclohexane-1-carboxamide?
The InChIKey is HJEAAYNELPFMHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N7O3/c1-27-18-11-24-17-7-6-16(14-10-25-28(12-14)8-9-30)26-19(17)20(18)29(22(27)32)15-4-2-13(3-5-15)21(23)31/h6-7,10-13,15,30H,2-5,8-9H2,1H3,(H2,23,31).
What are the key properties of 4-[8-[1-(2-hydroxyethyl)pyrazol-4-yl]-3-methyl-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]cyclohexane-1-carboxamide?
4-[8-[1-(2-hydroxyethyl)pyrazol-4-yl]-3-methyl-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]cyclohexane-1-carboxamide has a molecular weight of 435.49 g/mol, XLogP of 1.36, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-[1-(2-hydroxyethyl)pyrazol-4-yl]-3-methyl-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]cyclohexane-1-carboxamide is sourced from PubChem (CID 58379608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).