1-[4-(2-hydroxyethoxy)cyclohexyl]-8-(2-methoxypyrimidin-5-yl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one

C23H26N6O4 — CID 58379492

IUPAC1-[4-(2-hydroxyethoxy)cyclohexyl]-8-(2-methoxypyrimidin-5-yl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one
SMILESCOc1ncc(-c2ccc3ncc4c(c3n2)n(C2CCC(OCCO)CC2)c(=O)n4C)cn1
InChIInChI=1S/C23H26N6O4/c1-28-19-13-24-18-8-7-17(14-11-25-22(32-2)26-12-14)27-20(18)21(19)29(23(28)31)15-3-5-16(6-4-15)33-10-9-30/h7-8,11-13,15-16,30H,3-6,9-10H2,1-2H3
InChIKeyMTFFDZGRFRQITI-UHFFFAOYSA-N
MW450.50 g/mol
LogP2.24
Rot. Bonds6

About 1-[4-(2-hydroxyethoxy)cyclohexyl]-8-(2-methoxypyrimidin-5-yl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one

1-[4-(2-hydroxyethoxy)cyclohexyl]-8-(2-methoxypyrimidin-5-yl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one (PubChem CID 58379492) has the molecular formula C23H26N6O4 and a molecular weight of 450.50 g/mol. Its IUPAC name is 1-[4-(2-hydroxyethoxy)cyclohexyl]-8-(2-methoxypyrimidin-5-yl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one.

Molecular Properties

Compound Name1-[4-(2-hydroxyethoxy)cyclohexyl]-8-(2-methoxypyrimidin-5-yl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one
PubChem CID58379492
Molecular FormulaC23H26N6O4
Molecular Weight450.50 g/mol
Exact Mass450.20
IUPAC Name1-[4-(2-hydroxyethoxy)cyclohexyl]-8-(2-methoxypyrimidin-5-yl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one
SMILESCOc1ncc(-c2ccc3ncc4c(c3n2)n(C2CCC(OCCO)CC2)c(=O)n4C)cn1
InChIInChI=1S/C23H26N6O4/c1-28-19-13-24-18-8-7-17(14-11-25-22(32-2)26-12-14)27-20(18)21(19)29(23(28)31)15-3-5-16(6-4-15)33-10-9-30/h7-8,11-13,15-16,30H,3-6,9-10H2,1-2H3
InChIKeyMTFFDZGRFRQITI-UHFFFAOYSA-N
XLogP2.24
TPSA117.18 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.50
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-hydroxyethoxy)cyclohexyl]-8-(2-methoxypyrimidin-5-yl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one?
The IUPAC name of 1-[4-(2-hydroxyethoxy)cyclohexyl]-8-(2-methoxypyrimidin-5-yl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one (CID 58379492) is 1-[4-(2-hydroxyethoxy)cyclohexyl]-8-(2-methoxypyrimidin-5-yl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one.
What is the SMILES notation for 1-[4-(2-hydroxyethoxy)cyclohexyl]-8-(2-methoxypyrimidin-5-yl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one?
The canonical SMILES for 1-[4-(2-hydroxyethoxy)cyclohexyl]-8-(2-methoxypyrimidin-5-yl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one is COc1ncc(-c2ccc3ncc4c(c3n2)n(C2CCC(OCCO)CC2)c(=O)n4C)cn1.
What is the InChIKey of 1-[4-(2-hydroxyethoxy)cyclohexyl]-8-(2-methoxypyrimidin-5-yl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one?
The InChIKey is MTFFDZGRFRQITI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O4/c1-28-19-13-24-18-8-7-17(14-11-25-22(32-2)26-12-14)27-20(18)21(19)29(23(28)31)15-3-5-16(6-4-15)33-10-9-30/h7-8,11-13,15-16,30H,3-6,9-10H2,1-2H3.
What are the key properties of 1-[4-(2-hydroxyethoxy)cyclohexyl]-8-(2-methoxypyrimidin-5-yl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one?
1-[4-(2-hydroxyethoxy)cyclohexyl]-8-(2-methoxypyrimidin-5-yl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one has a molecular weight of 450.50 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-hydroxyethoxy)cyclohexyl]-8-(2-methoxypyrimidin-5-yl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one is sourced from PubChem (CID 58379492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).