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

C24H23N5O2 — CID 58379519

IUPAC1-(4-hydroxycyclohexyl)-8-(1H-indol-4-yl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one
SMILESCn1c(=O)n(C2CCC(O)CC2)c2c3nc(-c4cccc5[nH]ccc45)ccc3ncc21
InChIInChI=1S/C24H23N5O2/c1-28-21-13-26-20-10-9-19(16-3-2-4-18-17(16)11-12-25-18)27-22(20)23(21)29(24(28)31)14-5-7-15(30)8-6-14/h2-4,9-15,25,30H,5-8H2,1H3
InChIKeyCWSCKWGKRCMORG-UHFFFAOYSA-N
MW413.48 g/mol
LogP3.91
Rot. Bonds2

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

1-(4-hydroxycyclohexyl)-8-(1H-indol-4-yl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one (PubChem CID 58379519) has the molecular formula C24H23N5O2 and a molecular weight of 413.48 g/mol. Its IUPAC name is 1-(4-hydroxycyclohexyl)-8-(1H-indol-4-yl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one.

Molecular Properties

Compound Name1-(4-hydroxycyclohexyl)-8-(1H-indol-4-yl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one
PubChem CID58379519
Molecular FormulaC24H23N5O2
Molecular Weight413.48 g/mol
Exact Mass413.19
IUPAC Name1-(4-hydroxycyclohexyl)-8-(1H-indol-4-yl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one
SMILESCn1c(=O)n(C2CCC(O)CC2)c2c3nc(-c4cccc5[nH]ccc45)ccc3ncc21
InChIInChI=1S/C24H23N5O2/c1-28-21-13-26-20-10-9-19(16-3-2-4-18-17(16)11-12-25-18)27-22(20)23(21)29(24(28)31)14-5-7-15(30)8-6-14/h2-4,9-15,25,30H,5-8H2,1H3
InChIKeyCWSCKWGKRCMORG-UHFFFAOYSA-N
XLogP3.91
TPSA88.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxycyclohexyl)-8-(1H-indol-4-yl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one?
The IUPAC name of 1-(4-hydroxycyclohexyl)-8-(1H-indol-4-yl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one (CID 58379519) is 1-(4-hydroxycyclohexyl)-8-(1H-indol-4-yl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one.
What is the SMILES notation for 1-(4-hydroxycyclohexyl)-8-(1H-indol-4-yl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one?
The canonical SMILES for 1-(4-hydroxycyclohexyl)-8-(1H-indol-4-yl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one is Cn1c(=O)n(C2CCC(O)CC2)c2c3nc(-c4cccc5[nH]ccc45)ccc3ncc21.
What is the InChIKey of 1-(4-hydroxycyclohexyl)-8-(1H-indol-4-yl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one?
The InChIKey is CWSCKWGKRCMORG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O2/c1-28-21-13-26-20-10-9-19(16-3-2-4-18-17(16)11-12-25-18)27-22(20)23(21)29(24(28)31)14-5-7-15(30)8-6-14/h2-4,9-15,25,30H,5-8H2,1H3.
What are the key properties of 1-(4-hydroxycyclohexyl)-8-(1H-indol-4-yl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one?
1-(4-hydroxycyclohexyl)-8-(1H-indol-4-yl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one has a molecular weight of 413.48 g/mol, XLogP of 3.91, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxycyclohexyl)-8-(1H-indol-4-yl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one is sourced from PubChem (CID 58379519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).