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

C24H27N5O3 — CID 58379643

IUPAC1-[4-(2-hydroxyethoxy)cyclohexyl]-3-methyl-8-(6-methyl-3-pyridinyl)imidazo[4,5-c][1,5]naphthyridin-2-one
SMILESCc1ccc(-c2ccc3ncc4c(c3n2)n(C2CCC(OCCO)CC2)c(=O)n4C)cn1
InChIInChI=1S/C24H27N5O3/c1-15-3-4-16(13-25-15)19-9-10-20-22(27-19)23-21(14-26-20)28(2)24(31)29(23)17-5-7-18(8-6-17)32-12-11-30/h3-4,9-10,13-14,17-18,30H,5-8,11-12H2,1-2H3
InChIKeyLVEXSOMVMPNPIE-UHFFFAOYSA-N
MW433.51 g/mol
LogP3.15
Rot. Bonds5

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

1-[4-(2-hydroxyethoxy)cyclohexyl]-3-methyl-8-(6-methyl-3-pyridinyl)imidazo[4,5-c][1,5]naphthyridin-2-one (PubChem CID 58379643) has the molecular formula C24H27N5O3 and a molecular weight of 433.51 g/mol. Its IUPAC name is 1-[4-(2-hydroxyethoxy)cyclohexyl]-3-methyl-8-(6-methyl-3-pyridinyl)imidazo[4,5-c][1,5]naphthyridin-2-one.

Molecular Properties

Compound Name1-[4-(2-hydroxyethoxy)cyclohexyl]-3-methyl-8-(6-methyl-3-pyridinyl)imidazo[4,5-c][1,5]naphthyridin-2-one
PubChem CID58379643
Molecular FormulaC24H27N5O3
Molecular Weight433.51 g/mol
Exact Mass433.21
IUPAC Name1-[4-(2-hydroxyethoxy)cyclohexyl]-3-methyl-8-(6-methyl-3-pyridinyl)imidazo[4,5-c][1,5]naphthyridin-2-one
SMILESCc1ccc(-c2ccc3ncc4c(c3n2)n(C2CCC(OCCO)CC2)c(=O)n4C)cn1
InChIInChI=1S/C24H27N5O3/c1-15-3-4-16(13-25-15)19-9-10-20-22(27-19)23-21(14-26-20)28(2)24(31)29(23)17-5-7-18(8-6-17)32-12-11-30/h3-4,9-10,13-14,17-18,30H,5-8,11-12H2,1-2H3
InChIKeyLVEXSOMVMPNPIE-UHFFFAOYSA-N
XLogP3.15
TPSA95.06 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-hydroxyethoxy)cyclohexyl]-3-methyl-8-(6-methyl-3-pyridinyl)imidazo[4,5-c][1,5]naphthyridin-2-one?
The IUPAC name of 1-[4-(2-hydroxyethoxy)cyclohexyl]-3-methyl-8-(6-methyl-3-pyridinyl)imidazo[4,5-c][1,5]naphthyridin-2-one (CID 58379643) is 1-[4-(2-hydroxyethoxy)cyclohexyl]-3-methyl-8-(6-methyl-3-pyridinyl)imidazo[4,5-c][1,5]naphthyridin-2-one.
What is the SMILES notation for 1-[4-(2-hydroxyethoxy)cyclohexyl]-3-methyl-8-(6-methyl-3-pyridinyl)imidazo[4,5-c][1,5]naphthyridin-2-one?
The canonical SMILES for 1-[4-(2-hydroxyethoxy)cyclohexyl]-3-methyl-8-(6-methyl-3-pyridinyl)imidazo[4,5-c][1,5]naphthyridin-2-one is Cc1ccc(-c2ccc3ncc4c(c3n2)n(C2CCC(OCCO)CC2)c(=O)n4C)cn1.
What is the InChIKey of 1-[4-(2-hydroxyethoxy)cyclohexyl]-3-methyl-8-(6-methyl-3-pyridinyl)imidazo[4,5-c][1,5]naphthyridin-2-one?
The InChIKey is LVEXSOMVMPNPIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O3/c1-15-3-4-16(13-25-15)19-9-10-20-22(27-19)23-21(14-26-20)28(2)24(31)29(23)17-5-7-18(8-6-17)32-12-11-30/h3-4,9-10,13-14,17-18,30H,5-8,11-12H2,1-2H3.
What are the key properties of 1-[4-(2-hydroxyethoxy)cyclohexyl]-3-methyl-8-(6-methyl-3-pyridinyl)imidazo[4,5-c][1,5]naphthyridin-2-one?
1-[4-(2-hydroxyethoxy)cyclohexyl]-3-methyl-8-(6-methyl-3-pyridinyl)imidazo[4,5-c][1,5]naphthyridin-2-one has a molecular weight of 433.51 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-hydroxyethoxy)cyclohexyl]-3-methyl-8-(6-methyl-3-pyridinyl)imidazo[4,5-c][1,5]naphthyridin-2-one is sourced from PubChem (CID 58379643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).