1-(4-hydroxycyclohexyl)-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one

C20H22N6O2 — CID 58379516

IUPAC1-(4-hydroxycyclohexyl)-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one
SMILESCn1cc(-c2ccc3ncc4c(c3n2)n(C2CCC(O)CC2)c(=O)n4C)cn1
InChIInChI=1S/C20H22N6O2/c1-24-11-12(9-22-24)15-7-8-16-18(23-15)19-17(10-21-16)25(2)20(28)26(19)13-3-5-14(27)6-4-13/h7-11,13-14,27H,3-6H2,1-2H3
InChIKeyZDEXVDRHVRCKFR-UHFFFAOYSA-N
MW378.44 g/mol
LogP2.16
Rot. Bonds2

About 1-(4-hydroxycyclohexyl)-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one

1-(4-hydroxycyclohexyl)-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one (PubChem CID 58379516) has the molecular formula C20H22N6O2 and a molecular weight of 378.44 g/mol. Its IUPAC name is 1-(4-hydroxycyclohexyl)-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one.

Molecular Properties

Compound Name1-(4-hydroxycyclohexyl)-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one
PubChem CID58379516
Molecular FormulaC20H22N6O2
Molecular Weight378.44 g/mol
Exact Mass378.18
IUPAC Name1-(4-hydroxycyclohexyl)-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one
SMILESCn1cc(-c2ccc3ncc4c(c3n2)n(C2CCC(O)CC2)c(=O)n4C)cn1
InChIInChI=1S/C20H22N6O2/c1-24-11-12(9-22-24)15-7-8-16-18(23-15)19-17(10-21-16)25(2)20(28)26(19)13-3-5-14(27)6-4-13/h7-11,13-14,27H,3-6H2,1-2H3
InChIKeyZDEXVDRHVRCKFR-UHFFFAOYSA-N
XLogP2.16
TPSA90.76 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxycyclohexyl)-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one?
The IUPAC name of 1-(4-hydroxycyclohexyl)-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one (CID 58379516) is 1-(4-hydroxycyclohexyl)-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one.
What is the SMILES notation for 1-(4-hydroxycyclohexyl)-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one?
The canonical SMILES for 1-(4-hydroxycyclohexyl)-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one is Cn1cc(-c2ccc3ncc4c(c3n2)n(C2CCC(O)CC2)c(=O)n4C)cn1.
What is the InChIKey of 1-(4-hydroxycyclohexyl)-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one?
The InChIKey is ZDEXVDRHVRCKFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O2/c1-24-11-12(9-22-24)15-7-8-16-18(23-15)19-17(10-21-16)25(2)20(28)26(19)13-3-5-14(27)6-4-13/h7-11,13-14,27H,3-6H2,1-2H3.
What are the key properties of 1-(4-hydroxycyclohexyl)-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one?
1-(4-hydroxycyclohexyl)-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one has a molecular weight of 378.44 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxycyclohexyl)-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one is sourced from PubChem (CID 58379516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).