4-[[3-(4-methoxyphenyl)-1H-indazol-5-yl]carbamoyl]benzoic acid

C22H17N3O4 — CID 22479778

IUPAC4-[[3-(4-methoxyphenyl)-1H-indazol-5-yl]carbamoyl]benzoic acid
SMILESCOc1ccc(-c2n[nH]c3ccc(NC(=O)c4ccc(C(=O)O)cc4)cc23)cc1
InChIInChI=1S/C22H17N3O4/c1-29-17-9-6-13(7-10-17)20-18-12-16(8-11-19(18)24-25-20)23-21(26)14-2-4-15(5-3-14)22(27)28/h2-12H,1H3,(H,23,26)(H,24,25)(H,27,28)
InChIKeyAJWQHUYWVDAPKG-UHFFFAOYSA-N
MW387.40 g/mol
LogP4.19
Rot. Bonds5

About 4-[[3-(4-methoxyphenyl)-1H-indazol-5-yl]carbamoyl]benzoic acid

4-[[3-(4-methoxyphenyl)-1H-indazol-5-yl]carbamoyl]benzoic acid (PubChem CID 22479778) has the molecular formula C22H17N3O4 and a molecular weight of 387.40 g/mol. Its IUPAC name is 4-[[3-(4-methoxyphenyl)-1H-indazol-5-yl]carbamoyl]benzoic acid.

Molecular Properties

Compound Name4-[[3-(4-methoxyphenyl)-1H-indazol-5-yl]carbamoyl]benzoic acid
PubChem CID22479778
Molecular FormulaC22H17N3O4
Molecular Weight387.40 g/mol
Exact Mass387.12
IUPAC Name4-[[3-(4-methoxyphenyl)-1H-indazol-5-yl]carbamoyl]benzoic acid
SMILESCOc1ccc(-c2n[nH]c3ccc(NC(=O)c4ccc(C(=O)O)cc4)cc23)cc1
InChIInChI=1S/C22H17N3O4/c1-29-17-9-6-13(7-10-17)20-18-12-16(8-11-19(18)24-25-20)23-21(26)14-2-4-15(5-3-14)22(27)28/h2-12H,1H3,(H,23,26)(H,24,25)(H,27,28)
InChIKeyAJWQHUYWVDAPKG-UHFFFAOYSA-N
XLogP4.19
TPSA104.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.40
LogP ≤ 54.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3-phenyl-1H-indazol-5-yl)carbamoyl]benzoic acid
CID 22479735
methyl 4-[[3-(4-fluorophenyl)-1H-indazol-5-yl]carbamoyl]benzoate
CID 22479901
4-methoxy-N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]benzamide
CID 22479828
N-[3-(4-fluorophenyl)-1H-indazol-5-yl]pyridine-4-carboxamide
CID 22479938
5-cyano-N-[3-(4-methoxyphenyl)-1H-indazol-5-yl]-3-methylpyridine-2-carboxamide
CID 155481975
2-[4-[(3-phenyl-1H-indazol-5-yl)carbamoyl]phenyl]acetic acid
CID 142112726
N-[3-(4-fluorophenyl)-1H-indazol-5-yl]-2-methoxybenzamide
CID 22479909
4-(1H-indazol-3-yl)-N-phenylbenzamide
CID 146637903
N-[4-methoxy-2-(4-methoxyphenyl)quinolin-6-yl]benzamide
CID 53113445
3-hydroxy-3-methyl-N-[3-(4-phenoxyphenyl)-1H-indazol-5-yl]butanamide
CID 22260818
3-(4-methoxyphenyl)-N-pyridin-4-yl-1H-pyrazole-5-carboxamide
CID 19508725
4-methoxy-N-(2-methyl-4-oxo-1H-quinolin-6-yl)benzamide
CID 39849013

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(4-methoxyphenyl)-1H-indazol-5-yl]carbamoyl]benzoic acid?
The IUPAC name of 4-[[3-(4-methoxyphenyl)-1H-indazol-5-yl]carbamoyl]benzoic acid (CID 22479778) is 4-[[3-(4-methoxyphenyl)-1H-indazol-5-yl]carbamoyl]benzoic acid.
What is the SMILES notation for 4-[[3-(4-methoxyphenyl)-1H-indazol-5-yl]carbamoyl]benzoic acid?
The canonical SMILES for 4-[[3-(4-methoxyphenyl)-1H-indazol-5-yl]carbamoyl]benzoic acid is COc1ccc(-c2n[nH]c3ccc(NC(=O)c4ccc(C(=O)O)cc4)cc23)cc1.
What is the InChIKey of 4-[[3-(4-methoxyphenyl)-1H-indazol-5-yl]carbamoyl]benzoic acid?
The InChIKey is AJWQHUYWVDAPKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O4/c1-29-17-9-6-13(7-10-17)20-18-12-16(8-11-19(18)24-25-20)23-21(26)14-2-4-15(5-3-14)22(27)28/h2-12H,1H3,(H,23,26)(H,24,25)(H,27,28).
What are the key properties of 4-[[3-(4-methoxyphenyl)-1H-indazol-5-yl]carbamoyl]benzoic acid?
4-[[3-(4-methoxyphenyl)-1H-indazol-5-yl]carbamoyl]benzoic acid has a molecular weight of 387.40 g/mol, XLogP of 4.19, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(4-methoxyphenyl)-1H-indazol-5-yl]carbamoyl]benzoic acid is sourced from PubChem (CID 22479778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).