1-(4-hydroxycyclohexyl)-8-(6-methoxy-3-pyridinyl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one

C22H23N5O3 — CID 58379619

IUPAC1-(4-hydroxycyclohexyl)-8-(6-methoxy-3-pyridinyl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one
SMILESCOc1ccc(-c2ccc3ncc4c(c3n2)n(C2CCC(O)CC2)c(=O)n4C)cn1
InChIInChI=1S/C22H23N5O3/c1-26-18-12-23-17-9-8-16(13-3-10-19(30-2)24-11-13)25-20(17)21(18)27(22(26)29)14-4-6-15(28)7-5-14/h3,8-12,14-15,28H,4-7H2,1-2H3
InChIKeyRUSWLTDNJLODMQ-UHFFFAOYSA-N
MW405.46 g/mol
LogP2.83
Rot. Bonds3

About 1-(4-hydroxycyclohexyl)-8-(6-methoxy-3-pyridinyl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one

1-(4-hydroxycyclohexyl)-8-(6-methoxy-3-pyridinyl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one (PubChem CID 58379619) has the molecular formula C22H23N5O3 and a molecular weight of 405.46 g/mol. Its IUPAC name is 1-(4-hydroxycyclohexyl)-8-(6-methoxy-3-pyridinyl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one.

Molecular Properties

Compound Name1-(4-hydroxycyclohexyl)-8-(6-methoxy-3-pyridinyl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one
PubChem CID58379619
Molecular FormulaC22H23N5O3
Molecular Weight405.46 g/mol
Exact Mass405.18
IUPAC Name1-(4-hydroxycyclohexyl)-8-(6-methoxy-3-pyridinyl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one
SMILESCOc1ccc(-c2ccc3ncc4c(c3n2)n(C2CCC(O)CC2)c(=O)n4C)cn1
InChIInChI=1S/C22H23N5O3/c1-26-18-12-23-17-9-8-16(13-3-10-19(30-2)24-11-13)25-20(17)21(18)27(22(26)29)14-4-6-15(28)7-5-14/h3,8-12,14-15,28H,4-7H2,1-2H3
InChIKeyRUSWLTDNJLODMQ-UHFFFAOYSA-N
XLogP2.83
TPSA95.06 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.46
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxycyclohexyl)-8-(6-methoxy-3-pyridinyl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one?
The IUPAC name of 1-(4-hydroxycyclohexyl)-8-(6-methoxy-3-pyridinyl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one (CID 58379619) is 1-(4-hydroxycyclohexyl)-8-(6-methoxy-3-pyridinyl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one.
What is the SMILES notation for 1-(4-hydroxycyclohexyl)-8-(6-methoxy-3-pyridinyl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one?
The canonical SMILES for 1-(4-hydroxycyclohexyl)-8-(6-methoxy-3-pyridinyl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one is COc1ccc(-c2ccc3ncc4c(c3n2)n(C2CCC(O)CC2)c(=O)n4C)cn1.
What is the InChIKey of 1-(4-hydroxycyclohexyl)-8-(6-methoxy-3-pyridinyl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one?
The InChIKey is RUSWLTDNJLODMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O3/c1-26-18-12-23-17-9-8-16(13-3-10-19(30-2)24-11-13)25-20(17)21(18)27(22(26)29)14-4-6-15(28)7-5-14/h3,8-12,14-15,28H,4-7H2,1-2H3.
What are the key properties of 1-(4-hydroxycyclohexyl)-8-(6-methoxy-3-pyridinyl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one?
1-(4-hydroxycyclohexyl)-8-(6-methoxy-3-pyridinyl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one has a molecular weight of 405.46 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxycyclohexyl)-8-(6-methoxy-3-pyridinyl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one is sourced from PubChem (CID 58379619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).