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

C22H23N5O2 — CID 58379623

IUPAC1-(4-hydroxycyclohexyl)-3-methyl-8-(6-methyl-3-pyridinyl)imidazo[4,5-c][1,5]naphthyridin-2-one
SMILESCc1ccc(-c2ccc3ncc4c(c3n2)n(C2CCC(O)CC2)c(=O)n4C)cn1
InChIInChI=1S/C22H23N5O2/c1-13-3-4-14(11-23-13)17-9-10-18-20(25-17)21-19(12-24-18)26(2)22(29)27(21)15-5-7-16(28)8-6-15/h3-4,9-12,15-16,28H,5-8H2,1-2H3
InChIKeyLVIORTDEPFZDSH-UHFFFAOYSA-N
MW389.46 g/mol
LogP3.13
Rot. Bonds2

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

1-(4-hydroxycyclohexyl)-3-methyl-8-(6-methyl-3-pyridinyl)imidazo[4,5-c][1,5]naphthyridin-2-one (PubChem CID 58379623) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is 1-(4-hydroxycyclohexyl)-3-methyl-8-(6-methyl-3-pyridinyl)imidazo[4,5-c][1,5]naphthyridin-2-one.

Molecular Properties

Compound Name1-(4-hydroxycyclohexyl)-3-methyl-8-(6-methyl-3-pyridinyl)imidazo[4,5-c][1,5]naphthyridin-2-one
PubChem CID58379623
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC Name1-(4-hydroxycyclohexyl)-3-methyl-8-(6-methyl-3-pyridinyl)imidazo[4,5-c][1,5]naphthyridin-2-one
SMILESCc1ccc(-c2ccc3ncc4c(c3n2)n(C2CCC(O)CC2)c(=O)n4C)cn1
InChIInChI=1S/C22H23N5O2/c1-13-3-4-14(11-23-13)17-9-10-18-20(25-17)21-19(12-24-18)26(2)22(29)27(21)15-5-7-16(28)8-6-15/h3-4,9-12,15-16,28H,5-8H2,1-2H3
InChIKeyLVIORTDEPFZDSH-UHFFFAOYSA-N
XLogP3.13
TPSA85.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxycyclohexyl)-3-methyl-8-(6-methyl-3-pyridinyl)imidazo[4,5-c][1,5]naphthyridin-2-one?
The IUPAC name of 1-(4-hydroxycyclohexyl)-3-methyl-8-(6-methyl-3-pyridinyl)imidazo[4,5-c][1,5]naphthyridin-2-one (CID 58379623) is 1-(4-hydroxycyclohexyl)-3-methyl-8-(6-methyl-3-pyridinyl)imidazo[4,5-c][1,5]naphthyridin-2-one.
What is the SMILES notation for 1-(4-hydroxycyclohexyl)-3-methyl-8-(6-methyl-3-pyridinyl)imidazo[4,5-c][1,5]naphthyridin-2-one?
The canonical SMILES for 1-(4-hydroxycyclohexyl)-3-methyl-8-(6-methyl-3-pyridinyl)imidazo[4,5-c][1,5]naphthyridin-2-one is Cc1ccc(-c2ccc3ncc4c(c3n2)n(C2CCC(O)CC2)c(=O)n4C)cn1.
What is the InChIKey of 1-(4-hydroxycyclohexyl)-3-methyl-8-(6-methyl-3-pyridinyl)imidazo[4,5-c][1,5]naphthyridin-2-one?
The InChIKey is LVIORTDEPFZDSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2/c1-13-3-4-14(11-23-13)17-9-10-18-20(25-17)21-19(12-24-18)26(2)22(29)27(21)15-5-7-16(28)8-6-15/h3-4,9-12,15-16,28H,5-8H2,1-2H3.
What are the key properties of 1-(4-hydroxycyclohexyl)-3-methyl-8-(6-methyl-3-pyridinyl)imidazo[4,5-c][1,5]naphthyridin-2-one?
1-(4-hydroxycyclohexyl)-3-methyl-8-(6-methyl-3-pyridinyl)imidazo[4,5-c][1,5]naphthyridin-2-one has a molecular weight of 389.46 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxycyclohexyl)-3-methyl-8-(6-methyl-3-pyridinyl)imidazo[4,5-c][1,5]naphthyridin-2-one is sourced from PubChem (CID 58379623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).