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

C24H27N5O4 — CID 58379559

IUPAC1-[4-(2-hydroxyethoxy)cyclohexyl]-8-(6-methoxy-3-pyridinyl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one
SMILESCOc1ccc(-c2ccc3ncc4c(c3n2)n(C2CCC(OCCO)CC2)c(=O)n4C)cn1
InChIInChI=1S/C24H27N5O4/c1-28-20-14-25-19-9-8-18(15-3-10-21(32-2)26-13-15)27-22(19)23(20)29(24(28)31)16-4-6-17(7-5-16)33-12-11-30/h3,8-10,13-14,16-17,30H,4-7,11-12H2,1-2H3
InChIKeyFSVNGKNQJXMWJY-UHFFFAOYSA-N
MW449.51 g/mol
LogP2.85
Rot. Bonds6

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

1-[4-(2-hydroxyethoxy)cyclohexyl]-8-(6-methoxy-3-pyridinyl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one (PubChem CID 58379559) has the molecular formula C24H27N5O4 and a molecular weight of 449.51 g/mol. Its IUPAC name is 1-[4-(2-hydroxyethoxy)cyclohexyl]-8-(6-methoxy-3-pyridinyl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one.

Molecular Properties

Compound Name1-[4-(2-hydroxyethoxy)cyclohexyl]-8-(6-methoxy-3-pyridinyl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one
PubChem CID58379559
Molecular FormulaC24H27N5O4
Molecular Weight449.51 g/mol
Exact Mass449.21
IUPAC Name1-[4-(2-hydroxyethoxy)cyclohexyl]-8-(6-methoxy-3-pyridinyl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one
SMILESCOc1ccc(-c2ccc3ncc4c(c3n2)n(C2CCC(OCCO)CC2)c(=O)n4C)cn1
InChIInChI=1S/C24H27N5O4/c1-28-20-14-25-19-9-8-18(15-3-10-21(32-2)26-13-15)27-22(19)23(20)29(24(28)31)16-4-6-17(7-5-16)33-12-11-30/h3,8-10,13-14,16-17,30H,4-7,11-12H2,1-2H3
InChIKeyFSVNGKNQJXMWJY-UHFFFAOYSA-N
XLogP2.85
TPSA104.29 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.51
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-hydroxyethoxy)cyclohexyl]-8-(6-methoxy-3-pyridinyl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one?
The IUPAC name of 1-[4-(2-hydroxyethoxy)cyclohexyl]-8-(6-methoxy-3-pyridinyl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one (CID 58379559) is 1-[4-(2-hydroxyethoxy)cyclohexyl]-8-(6-methoxy-3-pyridinyl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one.
What is the SMILES notation for 1-[4-(2-hydroxyethoxy)cyclohexyl]-8-(6-methoxy-3-pyridinyl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one?
The canonical SMILES for 1-[4-(2-hydroxyethoxy)cyclohexyl]-8-(6-methoxy-3-pyridinyl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one is COc1ccc(-c2ccc3ncc4c(c3n2)n(C2CCC(OCCO)CC2)c(=O)n4C)cn1.
What is the InChIKey of 1-[4-(2-hydroxyethoxy)cyclohexyl]-8-(6-methoxy-3-pyridinyl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one?
The InChIKey is FSVNGKNQJXMWJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O4/c1-28-20-14-25-19-9-8-18(15-3-10-21(32-2)26-13-15)27-22(19)23(20)29(24(28)31)16-4-6-17(7-5-16)33-12-11-30/h3,8-10,13-14,16-17,30H,4-7,11-12H2,1-2H3.
What are the key properties of 1-[4-(2-hydroxyethoxy)cyclohexyl]-8-(6-methoxy-3-pyridinyl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one?
1-[4-(2-hydroxyethoxy)cyclohexyl]-8-(6-methoxy-3-pyridinyl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one has a molecular weight of 449.51 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-hydroxyethoxy)cyclohexyl]-8-(6-methoxy-3-pyridinyl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one is sourced from PubChem (CID 58379559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).