4-[8-(2-methoxypyrimidin-5-yl)-3-methyl-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]cyclohexane-1-carboxamide

C22H23N7O3 — CID 58379563

IUPAC4-[8-(2-methoxypyrimidin-5-yl)-3-methyl-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]cyclohexane-1-carboxamide
SMILESCOc1ncc(-c2ccc3ncc4c(c3n2)n(C2CCC(C(N)=O)CC2)c(=O)n4C)cn1
InChIInChI=1S/C22H23N7O3/c1-28-17-11-24-16-8-7-15(13-9-25-21(32-2)26-10-13)27-18(16)19(17)29(22(28)31)14-5-3-12(4-6-14)20(23)30/h7-12,14H,3-6H2,1-2H3,(H2,23,30)
InChIKeyJBLHXBPPTAVQLP-UHFFFAOYSA-N
MW433.47 g/mol
LogP1.97
Rot. Bonds4

About 4-[8-(2-methoxypyrimidin-5-yl)-3-methyl-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]cyclohexane-1-carboxamide

4-[8-(2-methoxypyrimidin-5-yl)-3-methyl-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]cyclohexane-1-carboxamide (PubChem CID 58379563) has the molecular formula C22H23N7O3 and a molecular weight of 433.47 g/mol. Its IUPAC name is 4-[8-(2-methoxypyrimidin-5-yl)-3-methyl-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-[8-(2-methoxypyrimidin-5-yl)-3-methyl-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]cyclohexane-1-carboxamide
PubChem CID58379563
Molecular FormulaC22H23N7O3
Molecular Weight433.47 g/mol
Exact Mass433.19
IUPAC Name4-[8-(2-methoxypyrimidin-5-yl)-3-methyl-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]cyclohexane-1-carboxamide
SMILESCOc1ncc(-c2ccc3ncc4c(c3n2)n(C2CCC(C(N)=O)CC2)c(=O)n4C)cn1
InChIInChI=1S/C22H23N7O3/c1-28-17-11-24-16-8-7-15(13-9-25-21(32-2)26-10-13)27-18(16)19(17)29(22(28)31)14-5-3-12(4-6-14)20(23)30/h7-12,14H,3-6H2,1-2H3,(H2,23,30)
InChIKeyJBLHXBPPTAVQLP-UHFFFAOYSA-N
XLogP1.97
TPSA130.81 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.47
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-[8-(2-methoxypyrimidin-5-yl)-3-methyl-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]cyclohexane-1-carboxamide?
The IUPAC name of 4-[8-(2-methoxypyrimidin-5-yl)-3-methyl-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]cyclohexane-1-carboxamide (CID 58379563) is 4-[8-(2-methoxypyrimidin-5-yl)-3-methyl-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-[8-(2-methoxypyrimidin-5-yl)-3-methyl-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-[8-(2-methoxypyrimidin-5-yl)-3-methyl-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]cyclohexane-1-carboxamide is COc1ncc(-c2ccc3ncc4c(c3n2)n(C2CCC(C(N)=O)CC2)c(=O)n4C)cn1.
What is the InChIKey of 4-[8-(2-methoxypyrimidin-5-yl)-3-methyl-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]cyclohexane-1-carboxamide?
The InChIKey is JBLHXBPPTAVQLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N7O3/c1-28-17-11-24-16-8-7-15(13-9-25-21(32-2)26-10-13)27-18(16)19(17)29(22(28)31)14-5-3-12(4-6-14)20(23)30/h7-12,14H,3-6H2,1-2H3,(H2,23,30).
What are the key properties of 4-[8-(2-methoxypyrimidin-5-yl)-3-methyl-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]cyclohexane-1-carboxamide?
4-[8-(2-methoxypyrimidin-5-yl)-3-methyl-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]cyclohexane-1-carboxamide has a molecular weight of 433.47 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-(2-methoxypyrimidin-5-yl)-3-methyl-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]cyclohexane-1-carboxamide is sourced from PubChem (CID 58379563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).