4-[(4-methyl-1H-indazol-7-yl)carbamoylamino]cyclohexane-1-carboxylic acid

C16H20N4O3 — CID 122080014

IUPAC4-[(4-methyl-1H-indazol-7-yl)carbamoylamino]cyclohexane-1-carboxylic acid
SMILESCc1ccc(NC(=O)NC2CCC(C(=O)O)CC2)c2[nH]ncc12
InChIInChI=1S/C16H20N4O3/c1-9-2-7-13(14-12(9)8-17-20-14)19-16(23)18-11-5-3-10(4-6-11)15(21)22/h2,7-8,10-11H,3-6H2,1H3,(H,17,20)(H,21,22)(H2,18,19,23)
InChIKeyWKVHXJYHZKYLDS-UHFFFAOYSA-N
MW316.36 g/mol
LogP2.64
Rot. Bonds3

About 4-[(4-methyl-1H-indazol-7-yl)carbamoylamino]cyclohexane-1-carboxylic acid

4-[(4-methyl-1H-indazol-7-yl)carbamoylamino]cyclohexane-1-carboxylic acid (PubChem CID 122080014) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is 4-[(4-methyl-1H-indazol-7-yl)carbamoylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(4-methyl-1H-indazol-7-yl)carbamoylamino]cyclohexane-1-carboxylic acid
PubChem CID122080014
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC Name4-[(4-methyl-1H-indazol-7-yl)carbamoylamino]cyclohexane-1-carboxylic acid
SMILESCc1ccc(NC(=O)NC2CCC(C(=O)O)CC2)c2[nH]ncc12
InChIInChI=1S/C16H20N4O3/c1-9-2-7-13(14-12(9)8-17-20-14)19-16(23)18-11-5-3-10(4-6-11)15(21)22/h2,7-8,10-11H,3-6H2,1H3,(H,17,20)(H,21,22)(H2,18,19,23)
InChIKeyWKVHXJYHZKYLDS-UHFFFAOYSA-N
XLogP2.64
TPSA107.11 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 52.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-(4-methyl-1H-indazol-7-yl)urea
CID 127605403
2-cyclopropyl-N-(4-methyl-1H-indazol-7-yl)acetamide
CID 166191921
cis-(1R,3S)-3-[(2,6-dimethyl-3-pyridinyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 106319865
N-(4-methyl-1H-indazol-7-yl)pyrrolidine-2-carboxamide;hydrochloride
CID 119307375
4-[(5-chloro-4-methyl-3-pyridinyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 122094449
trans-(1S,2S)-N-(4-methyl-1H-indazol-7-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 95259732
4-[(2-methylpyrimidin-5-yl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 122079348
4-[(2-ethoxy-4-methylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 122076839
4-[(2,5-difluorophenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 61182622
4-[(3-methoxy-2,5-dimethylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 122091843
4-[[3-(dimethylamino)-2-methylphenyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122088906
3-[(2-bromo-4-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 66031810

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methyl-1H-indazol-7-yl)carbamoylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(4-methyl-1H-indazol-7-yl)carbamoylamino]cyclohexane-1-carboxylic acid (CID 122080014) is 4-[(4-methyl-1H-indazol-7-yl)carbamoylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(4-methyl-1H-indazol-7-yl)carbamoylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(4-methyl-1H-indazol-7-yl)carbamoylamino]cyclohexane-1-carboxylic acid is Cc1ccc(NC(=O)NC2CCC(C(=O)O)CC2)c2[nH]ncc12.
What is the InChIKey of 4-[(4-methyl-1H-indazol-7-yl)carbamoylamino]cyclohexane-1-carboxylic acid?
The InChIKey is WKVHXJYHZKYLDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3/c1-9-2-7-13(14-12(9)8-17-20-14)19-16(23)18-11-5-3-10(4-6-11)15(21)22/h2,7-8,10-11H,3-6H2,1H3,(H,17,20)(H,21,22)(H2,18,19,23).
What are the key properties of 4-[(4-methyl-1H-indazol-7-yl)carbamoylamino]cyclohexane-1-carboxylic acid?
4-[(4-methyl-1H-indazol-7-yl)carbamoylamino]cyclohexane-1-carboxylic acid has a molecular weight of 316.36 g/mol, XLogP of 2.64, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methyl-1H-indazol-7-yl)carbamoylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 122080014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).