4-[[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]carbamoyl]cyclohexane-1-carboxylic acid

C20H21N5O3 — CID 138591121

IUPAC4-[[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]carbamoyl]cyclohexane-1-carboxylic acid
SMILESCn1cc(-c2ccc3nnc(NC(=O)C4CCC(C(=O)O)CC4)cc3c2)cn1
InChIInChI=1S/C20H21N5O3/c1-25-11-16(10-21-25)14-6-7-17-15(8-14)9-18(24-23-17)22-19(26)12-2-4-13(5-3-12)20(27)28/h6-13H,2-5H2,1H3,(H,27,28)(H,22,24,26)
InChIKeyWZQSVDGOXSOPIK-UHFFFAOYSA-N
MW379.42 g/mol
LogP2.86
Rot. Bonds4

About 4-[[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]carbamoyl]cyclohexane-1-carboxylic acid

4-[[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]carbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 138591121) has the molecular formula C20H21N5O3 and a molecular weight of 379.42 g/mol. Its IUPAC name is 4-[[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]carbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]carbamoyl]cyclohexane-1-carboxylic acid
PubChem CID138591121
Molecular FormulaC20H21N5O3
Molecular Weight379.42 g/mol
Exact Mass379.16
IUPAC Name4-[[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]carbamoyl]cyclohexane-1-carboxylic acid
SMILESCn1cc(-c2ccc3nnc(NC(=O)C4CCC(C(=O)O)CC4)cc3c2)cn1
InChIInChI=1S/C20H21N5O3/c1-25-11-16(10-21-25)14-6-7-17-15(8-14)9-18(24-23-17)22-19(26)12-2-4-13(5-3-12)20(27)28/h6-13H,2-5H2,1H3,(H,27,28)(H,22,24,26)
InChIKeyWZQSVDGOXSOPIK-UHFFFAOYSA-N
XLogP2.86
TPSA110.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]cyclohexane-1-carboxamide
CID 138590409
(3S)-N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]piperidine-3-carboxamide
CID 138588985
1-butyl-N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]piperidine-4-carboxamide
CID 138586873
4-[[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]carbamoyl]cyclohexane-1-carboxylic acid
CID 138588832
N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]-2-pyrrolidin-1-ylacetamide
CID 138591284
N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]-1-(2-propan-2-yloxyethyl)piperidine-4-carboxamide
CID 138587776
2-(diethylamino)-N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]acetamide
CID 138590694
2-(4-methylpiperidin-1-yl)-N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]acetamide
CID 138588375
2-(4-methoxypiperidin-1-yl)-N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]acetamide
CID 138589116
N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]quinoline-3-carboxamide
CID 138588149
N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]-1-piperidin-4-yltriazole-4-carboxamide
CID 138588367
2-methyl-6-(4-methylpiperazin-1-yl)-N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]pyridine-4-carboxamide
CID 138590175

Frequently Asked Questions

What is the IUPAC name of 4-[[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]carbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]carbamoyl]cyclohexane-1-carboxylic acid (CID 138591121) is 4-[[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]carbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]carbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]carbamoyl]cyclohexane-1-carboxylic acid is Cn1cc(-c2ccc3nnc(NC(=O)C4CCC(C(=O)O)CC4)cc3c2)cn1.
What is the InChIKey of 4-[[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]carbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is WZQSVDGOXSOPIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O3/c1-25-11-16(10-21-25)14-6-7-17-15(8-14)9-18(24-23-17)22-19(26)12-2-4-13(5-3-12)20(27)28/h6-13H,2-5H2,1H3,(H,27,28)(H,22,24,26).
What are the key properties of 4-[[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]carbamoyl]cyclohexane-1-carboxylic acid?
4-[[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]carbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 379.42 g/mol, XLogP of 2.86, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]carbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 138591121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).