2-[4-[(3-phenyl-1H-indazol-5-yl)carbamoyl]phenyl]acetic acid

C22H17N3O3 — CID 142112726

IUPAC2-[4-[(3-phenyl-1H-indazol-5-yl)carbamoyl]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(C(=O)Nc2ccc3[nH]nc(-c4ccccc4)c3c2)cc1
InChIInChI=1S/C22H17N3O3/c26-20(27)12-14-6-8-16(9-7-14)22(28)23-17-10-11-19-18(13-17)21(25-24-19)15-4-2-1-3-5-15/h1-11,13H,12H2,(H,23,28)(H,24,25)(H,26,27)
InChIKeyPBCYMRCFJMBXEA-UHFFFAOYSA-N
MW371.40 g/mol
LogP4.11
Rot. Bonds5

About 2-[4-[(3-phenyl-1H-indazol-5-yl)carbamoyl]phenyl]acetic acid

2-[4-[(3-phenyl-1H-indazol-5-yl)carbamoyl]phenyl]acetic acid (PubChem CID 142112726) has the molecular formula C22H17N3O3 and a molecular weight of 371.40 g/mol. Its IUPAC name is 2-[4-[(3-phenyl-1H-indazol-5-yl)carbamoyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[(3-phenyl-1H-indazol-5-yl)carbamoyl]phenyl]acetic acid
PubChem CID142112726
Molecular FormulaC22H17N3O3
Molecular Weight371.40 g/mol
Exact Mass371.13
IUPAC Name2-[4-[(3-phenyl-1H-indazol-5-yl)carbamoyl]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(C(=O)Nc2ccc3[nH]nc(-c4ccccc4)c3c2)cc1
InChIInChI=1S/C22H17N3O3/c26-20(27)12-14-6-8-16(9-7-14)22(28)23-17-10-11-19-18(13-17)21(25-24-19)15-4-2-1-3-5-15/h1-11,13H,12H2,(H,23,28)(H,24,25)(H,26,27)
InChIKeyPBCYMRCFJMBXEA-UHFFFAOYSA-N
XLogP4.11
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 54.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-phenyl-1H-indazol-5-yl)carbamoyl]phenyl]acetic acid?
The IUPAC name of 2-[4-[(3-phenyl-1H-indazol-5-yl)carbamoyl]phenyl]acetic acid (CID 142112726) is 2-[4-[(3-phenyl-1H-indazol-5-yl)carbamoyl]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[(3-phenyl-1H-indazol-5-yl)carbamoyl]phenyl]acetic acid?
The canonical SMILES for 2-[4-[(3-phenyl-1H-indazol-5-yl)carbamoyl]phenyl]acetic acid is O=C(O)Cc1ccc(C(=O)Nc2ccc3[nH]nc(-c4ccccc4)c3c2)cc1.
What is the InChIKey of 2-[4-[(3-phenyl-1H-indazol-5-yl)carbamoyl]phenyl]acetic acid?
The InChIKey is PBCYMRCFJMBXEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O3/c26-20(27)12-14-6-8-16(9-7-14)22(28)23-17-10-11-19-18(13-17)21(25-24-19)15-4-2-1-3-5-15/h1-11,13H,12H2,(H,23,28)(H,24,25)(H,26,27).
What are the key properties of 2-[4-[(3-phenyl-1H-indazol-5-yl)carbamoyl]phenyl]acetic acid?
2-[4-[(3-phenyl-1H-indazol-5-yl)carbamoyl]phenyl]acetic acid has a molecular weight of 371.40 g/mol, XLogP of 4.11, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-phenyl-1H-indazol-5-yl)carbamoyl]phenyl]acetic acid is sourced from PubChem (CID 142112726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).