4-[[4-chloro-1-[(4-cyclopropylphenyl)methyl]indazole-7-carbonyl]amino]cyclohexane-1-carboxylic acid

C25H26ClN3O3 — CID 146187978

IUPAC4-[[4-chloro-1-[(4-cyclopropylphenyl)methyl]indazole-7-carbonyl]amino]cyclohexane-1-carboxylic acid
SMILESO=C(NC1CCC(C(=O)O)CC1)c1ccc(Cl)c2cnn(Cc3ccc(C4CC4)cc3)c12
InChIInChI=1S/C25H26ClN3O3/c26-22-12-11-20(24(30)28-19-9-7-18(8-10-19)25(31)32)23-21(22)13-27-29(23)14-15-1-3-16(4-2-15)17-5-6-17/h1-4,11-13,17-19H,5-10,14H2,(H,28,30)(H,31,32)
InChIKeyANTYWAXMCWLZQY-UHFFFAOYSA-N
MW451.95 g/mol
LogP4.99
Rot. Bonds6

About 4-[[4-chloro-1-[(4-cyclopropylphenyl)methyl]indazole-7-carbonyl]amino]cyclohexane-1-carboxylic acid

4-[[4-chloro-1-[(4-cyclopropylphenyl)methyl]indazole-7-carbonyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 146187978) has the molecular formula C25H26ClN3O3 and a molecular weight of 451.95 g/mol. Its IUPAC name is 4-[[4-chloro-1-[(4-cyclopropylphenyl)methyl]indazole-7-carbonyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[4-chloro-1-[(4-cyclopropylphenyl)methyl]indazole-7-carbonyl]amino]cyclohexane-1-carboxylic acid
PubChem CID146187978
Molecular FormulaC25H26ClN3O3
Molecular Weight451.95 g/mol
Exact Mass451.17
IUPAC Name4-[[4-chloro-1-[(4-cyclopropylphenyl)methyl]indazole-7-carbonyl]amino]cyclohexane-1-carboxylic acid
SMILESO=C(NC1CCC(C(=O)O)CC1)c1ccc(Cl)c2cnn(Cc3ccc(C4CC4)cc3)c12
InChIInChI=1S/C25H26ClN3O3/c26-22-12-11-20(24(30)28-19-9-7-18(8-10-19)25(31)32)23-21(22)13-27-29(23)14-15-1-3-16(4-2-15)17-5-6-17/h1-4,11-13,17-19H,5-10,14H2,(H,28,30)(H,31,32)
InChIKeyANTYWAXMCWLZQY-UHFFFAOYSA-N
XLogP4.99
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.95
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[[4-chloro-1-[(4-cyclopropylphenyl)methyl]indazole-7-carbonyl]amino]cyclohexane-1-carboxylic acid with MolForge

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Related Compounds

methyl 4-[[1-[(3-cyclopropylphenyl)methyl]-4-prop-1-ynylindazole-7-carbonyl]amino]cyclohexane-1-carboxylate
CID 167248751
2-[2-[[4-chloro-1-[[4-(4-cyanophenyl)phenyl]methyl]indazole-7-carbonyl]amino]spiro[3.3]heptan-6-yl]acetic acid
CID 139578515
methyl 4-[[4-but-1-ynyl-1-[(4-phenylphenyl)methyl]indazole-7-carbonyl]amino]cyclohexane-1-carboxylate
CID 167249005
4-[[1-[1-(4-cyclopropylphenyl)ethyl]-4-prop-1-ynylindazole-7-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 167248754
4-[[4-fluoro-1-[(4-phenylphenyl)methyl]indole-7-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 146187897
4-[(4-cyclopropylphenyl)methylamino]cyclohexane-1-carboxylic acid
CID 79977776
6-[2-[4-chloro-1-[(4-propan-2-ylphenyl)methyl]indazol-7-yl]-2-oxoethyl]spiro[3.3]heptane-2-carboxylic acid
CID 158754357
4-[[1-[[4-(3-cyano-5-methoxyphenyl)phenyl]methyl]indazole-7-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 146187939
trans-(1R,3R)-3-[(2-chlorobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 97318284
4-chloro-1-[(3-fluoro-4-iodophenyl)methyl]indazole-7-carboxylic acid
CID 146187831
2-[[1-[(4-tert-butylphenyl)methyl]-4-chloroindole-7-carbonyl]amino]spiro[3.3]heptane-6-carboxylic acid
CID 139578575
6-[2-[4-chloro-1-[[4-[6-(methylcarbamoyl)-2-pyridinyl]phenyl]methyl]indazol-7-yl]-2-oxoethyl]spiro[3.3]heptane-2-carboxylic acid
CID 159012666

Frequently Asked Questions

What is the IUPAC name of 4-[[4-chloro-1-[(4-cyclopropylphenyl)methyl]indazole-7-carbonyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[4-chloro-1-[(4-cyclopropylphenyl)methyl]indazole-7-carbonyl]amino]cyclohexane-1-carboxylic acid (CID 146187978) is 4-[[4-chloro-1-[(4-cyclopropylphenyl)methyl]indazole-7-carbonyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[4-chloro-1-[(4-cyclopropylphenyl)methyl]indazole-7-carbonyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[4-chloro-1-[(4-cyclopropylphenyl)methyl]indazole-7-carbonyl]amino]cyclohexane-1-carboxylic acid is O=C(NC1CCC(C(=O)O)CC1)c1ccc(Cl)c2cnn(Cc3ccc(C4CC4)cc3)c12.
What is the InChIKey of 4-[[4-chloro-1-[(4-cyclopropylphenyl)methyl]indazole-7-carbonyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is ANTYWAXMCWLZQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClN3O3/c26-22-12-11-20(24(30)28-19-9-7-18(8-10-19)25(31)32)23-21(22)13-27-29(23)14-15-1-3-16(4-2-15)17-5-6-17/h1-4,11-13,17-19H,5-10,14H2,(H,28,30)(H,31,32).
What are the key properties of 4-[[4-chloro-1-[(4-cyclopropylphenyl)methyl]indazole-7-carbonyl]amino]cyclohexane-1-carboxylic acid?
4-[[4-chloro-1-[(4-cyclopropylphenyl)methyl]indazole-7-carbonyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 451.95 g/mol, XLogP of 4.99, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-chloro-1-[(4-cyclopropylphenyl)methyl]indazole-7-carbonyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 146187978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).