1-(4-hydroxycyclohexyl)-8-(1H-indazol-5-yl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one

C23H22N6O2 — CID 58379548

IUPAC1-(4-hydroxycyclohexyl)-8-(1H-indazol-5-yl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one
SMILESCn1c(=O)n(C2CCC(O)CC2)c2c3nc(-c4ccc5[nH]ncc5c4)ccc3ncc21
InChIInChI=1S/C23H22N6O2/c1-28-20-12-24-19-9-8-17(13-2-7-18-14(10-13)11-25-27-18)26-21(19)22(20)29(23(28)31)15-3-5-16(30)6-4-15/h2,7-12,15-16,30H,3-6H2,1H3,(H,25,27)
InChIKeyZLASBNFOQVWTOW-UHFFFAOYSA-N
MW414.47 g/mol
LogP3.30
Rot. Bonds2

About 1-(4-hydroxycyclohexyl)-8-(1H-indazol-5-yl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one

1-(4-hydroxycyclohexyl)-8-(1H-indazol-5-yl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one (PubChem CID 58379548) has the molecular formula C23H22N6O2 and a molecular weight of 414.47 g/mol. Its IUPAC name is 1-(4-hydroxycyclohexyl)-8-(1H-indazol-5-yl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one.

Molecular Properties

Compound Name1-(4-hydroxycyclohexyl)-8-(1H-indazol-5-yl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one
PubChem CID58379548
Molecular FormulaC23H22N6O2
Molecular Weight414.47 g/mol
Exact Mass414.18
IUPAC Name1-(4-hydroxycyclohexyl)-8-(1H-indazol-5-yl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one
SMILESCn1c(=O)n(C2CCC(O)CC2)c2c3nc(-c4ccc5[nH]ncc5c4)ccc3ncc21
InChIInChI=1S/C23H22N6O2/c1-28-20-12-24-19-9-8-17(13-2-7-18-14(10-13)11-25-27-18)26-21(19)22(20)29(23(28)31)15-3-5-16(30)6-4-15/h2,7-12,15-16,30H,3-6H2,1H3,(H,25,27)
InChIKeyZLASBNFOQVWTOW-UHFFFAOYSA-N
XLogP3.30
TPSA101.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxycyclohexyl)-8-(1H-indazol-5-yl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one?
The IUPAC name of 1-(4-hydroxycyclohexyl)-8-(1H-indazol-5-yl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one (CID 58379548) is 1-(4-hydroxycyclohexyl)-8-(1H-indazol-5-yl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one.
What is the SMILES notation for 1-(4-hydroxycyclohexyl)-8-(1H-indazol-5-yl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one?
The canonical SMILES for 1-(4-hydroxycyclohexyl)-8-(1H-indazol-5-yl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one is Cn1c(=O)n(C2CCC(O)CC2)c2c3nc(-c4ccc5[nH]ncc5c4)ccc3ncc21.
What is the InChIKey of 1-(4-hydroxycyclohexyl)-8-(1H-indazol-5-yl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one?
The InChIKey is ZLASBNFOQVWTOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O2/c1-28-20-12-24-19-9-8-17(13-2-7-18-14(10-13)11-25-27-18)26-21(19)22(20)29(23(28)31)15-3-5-16(30)6-4-15/h2,7-12,15-16,30H,3-6H2,1H3,(H,25,27).
What are the key properties of 1-(4-hydroxycyclohexyl)-8-(1H-indazol-5-yl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one?
1-(4-hydroxycyclohexyl)-8-(1H-indazol-5-yl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one has a molecular weight of 414.47 g/mol, XLogP of 3.30, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxycyclohexyl)-8-(1H-indazol-5-yl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one is sourced from PubChem (CID 58379548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).