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

C21H23N7O2 — CID 58379600

IUPAC4-[3-methyl-8-(1-methylpyrazol-4-yl)-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]cyclohexane-1-carboxamide
SMILESCn1cc(-c2ccc3ncc4c(c3n2)n(C2CCC(C(N)=O)CC2)c(=O)n4C)cn1
InChIInChI=1S/C21H23N7O2/c1-26-11-13(9-24-26)15-7-8-16-18(25-15)19-17(10-23-16)27(2)21(30)28(19)14-5-3-12(4-6-14)20(22)29/h7-12,14H,3-6H2,1-2H3,(H2,22,29)
InChIKeySDJWQQUZGTZQLC-UHFFFAOYSA-N
MW405.46 g/mol
LogP1.90
Rot. Bonds3

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

4-[3-methyl-8-(1-methylpyrazol-4-yl)-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]cyclohexane-1-carboxamide (PubChem CID 58379600) has the molecular formula C21H23N7O2 and a molecular weight of 405.46 g/mol. Its IUPAC name is 4-[3-methyl-8-(1-methylpyrazol-4-yl)-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-[3-methyl-8-(1-methylpyrazol-4-yl)-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]cyclohexane-1-carboxamide
PubChem CID58379600
Molecular FormulaC21H23N7O2
Molecular Weight405.46 g/mol
Exact Mass405.19
IUPAC Name4-[3-methyl-8-(1-methylpyrazol-4-yl)-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]cyclohexane-1-carboxamide
SMILESCn1cc(-c2ccc3ncc4c(c3n2)n(C2CCC(C(N)=O)CC2)c(=O)n4C)cn1
InChIInChI=1S/C21H23N7O2/c1-26-11-13(9-24-26)15-7-8-16-18(25-15)19-17(10-23-16)27(2)21(30)28(19)14-5-3-12(4-6-14)20(22)29/h7-12,14H,3-6H2,1-2H3,(H2,22,29)
InChIKeySDJWQQUZGTZQLC-UHFFFAOYSA-N
XLogP1.90
TPSA113.62 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.46
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

1,3-Dimethyl-7-[4-(2-methyl-imidazo[4,5-c]pyridin-1-yl)-phenyl]-4,6-dihydro-1H-pyrazolo[3,4-b][1,4]diazepin-5-one
CID 10068655
1-[(3R)-4-benzoyl-3-methyl-piperazin-1-yl]-2-[7-(3-methylpyrazol-1-yl)-1H-pyrrolo[3,2-b]pyridin-3-yl]ethane-1,2-dione
CID 15958914
1-(1-acetylpiperidin-4-yl)-8-(1H-indazol-4-yl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one
CID 58379595
1,8-Dimethyl-5-[4-(2-methyl-imidazo[4,5-c]pyridin-1-yl)-phenyl]-3-pyridin-3-yl-6,8-dihydro-1H-pyrazolo[3,4-b][1,4]diazepin-7-one
CID 9955997
3-[1-(3-Dimethylamino-propyl)-1H-indazol-3-yl]-4-(1-quinolin-3-yl-1H-indol-3-yl)-pyrrole-2,5-dione
CID 10302405
3-[1-[4-(7-methyl-1H-indazol-5-yl)-3-(3-methyl-2-pyridinyl)butanoyl]piperidin-4-yl]-1,4-dihydroquinazolin-2-one
CID 11156698
3-[1-[4-(7-methyl-1H-indazol-5-yl)-3-pyridin-2-ylbutanoyl]piperidin-4-yl]-1,4-dihydroquinazolin-2-one
CID 11432183
3-[1-[4-(7-methyl-1H-indazol-5-yl)-3-(5-methyl-2-pyridinyl)butanoyl]piperidin-4-yl]-1,4-dihydroquinazolin-2-one
CID 11785754
1-Benzyl-3-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-4-yl]urea
CID 53236674
1-[7-(1-Methylpyrazol-4-yl)-1,5-naphthyridin-4-yl]-3-(2-phenylethyl)urea
CID 53236676
1-Tert-butyl-3-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-4-yl]urea
CID 53239593
(6S)-6-methyl-3-(2-oxo-4-phenylpyrrolidin-1-yl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 121483826

Frequently Asked Questions

What is the IUPAC name of 4-[3-methyl-8-(1-methylpyrazol-4-yl)-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]cyclohexane-1-carboxamide?
The IUPAC name of 4-[3-methyl-8-(1-methylpyrazol-4-yl)-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]cyclohexane-1-carboxamide (CID 58379600) is 4-[3-methyl-8-(1-methylpyrazol-4-yl)-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-[3-methyl-8-(1-methylpyrazol-4-yl)-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-[3-methyl-8-(1-methylpyrazol-4-yl)-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]cyclohexane-1-carboxamide is Cn1cc(-c2ccc3ncc4c(c3n2)n(C2CCC(C(N)=O)CC2)c(=O)n4C)cn1.
What is the InChIKey of 4-[3-methyl-8-(1-methylpyrazol-4-yl)-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]cyclohexane-1-carboxamide?
The InChIKey is SDJWQQUZGTZQLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N7O2/c1-26-11-13(9-24-26)15-7-8-16-18(25-15)19-17(10-23-16)27(2)21(30)28(19)14-5-3-12(4-6-14)20(22)29/h7-12,14H,3-6H2,1-2H3,(H2,22,29).
What are the key properties of 4-[3-methyl-8-(1-methylpyrazol-4-yl)-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]cyclohexane-1-carboxamide?
4-[3-methyl-8-(1-methylpyrazol-4-yl)-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]cyclohexane-1-carboxamide has a molecular weight of 405.46 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-methyl-8-(1-methylpyrazol-4-yl)-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]cyclohexane-1-carboxamide is sourced from PubChem (CID 58379600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).