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

C20H14N4O3 — CID 22479866

IUPAC4-[(3-pyridin-4-yl-1H-indazol-5-yl)carbamoyl]benzoic acid
SMILESO=C(O)c1ccc(C(=O)Nc2ccc3[nH]nc(-c4ccncc4)c3c2)cc1
InChIInChI=1S/C20H14N4O3/c25-19(13-1-3-14(4-2-13)20(26)27)22-15-5-6-17-16(11-15)18(24-23-17)12-7-9-21-10-8-12/h1-11H,(H,22,25)(H,23,24)(H,26,27)
InChIKeyUFWMOHKJWNNGPV-UHFFFAOYSA-N
MW358.36 g/mol
LogP3.58
Rot. Bonds4

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

4-[(3-pyridin-4-yl-1H-indazol-5-yl)carbamoyl]benzoic acid (PubChem CID 22479866) has the molecular formula C20H14N4O3 and a molecular weight of 358.36 g/mol. Its IUPAC name is 4-[(3-pyridin-4-yl-1H-indazol-5-yl)carbamoyl]benzoic acid.

Molecular Properties

Compound Name4-[(3-pyridin-4-yl-1H-indazol-5-yl)carbamoyl]benzoic acid
PubChem CID22479866
Molecular FormulaC20H14N4O3
Molecular Weight358.36 g/mol
Exact Mass358.11
IUPAC Name4-[(3-pyridin-4-yl-1H-indazol-5-yl)carbamoyl]benzoic acid
SMILESO=C(O)c1ccc(C(=O)Nc2ccc3[nH]nc(-c4ccncc4)c3c2)cc1
InChIInChI=1S/C20H14N4O3/c25-19(13-1-3-14(4-2-13)20(26)27)22-15-5-6-17-16(11-15)18(24-23-17)12-7-9-21-10-8-12/h1-11H,(H,22,25)(H,23,24)(H,26,27)
InChIKeyUFWMOHKJWNNGPV-UHFFFAOYSA-N
XLogP3.58
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.36
LogP ≤ 53.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-pyridin-4-yl-1H-indazol-5-yl)carbamoyl]benzoic acid?
The IUPAC name of 4-[(3-pyridin-4-yl-1H-indazol-5-yl)carbamoyl]benzoic acid (CID 22479866) is 4-[(3-pyridin-4-yl-1H-indazol-5-yl)carbamoyl]benzoic acid.
What is the SMILES notation for 4-[(3-pyridin-4-yl-1H-indazol-5-yl)carbamoyl]benzoic acid?
The canonical SMILES for 4-[(3-pyridin-4-yl-1H-indazol-5-yl)carbamoyl]benzoic acid is O=C(O)c1ccc(C(=O)Nc2ccc3[nH]nc(-c4ccncc4)c3c2)cc1.
What is the InChIKey of 4-[(3-pyridin-4-yl-1H-indazol-5-yl)carbamoyl]benzoic acid?
The InChIKey is UFWMOHKJWNNGPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N4O3/c25-19(13-1-3-14(4-2-13)20(26)27)22-15-5-6-17-16(11-15)18(24-23-17)12-7-9-21-10-8-12/h1-11H,(H,22,25)(H,23,24)(H,26,27).
What are the key properties of 4-[(3-pyridin-4-yl-1H-indazol-5-yl)carbamoyl]benzoic acid?
4-[(3-pyridin-4-yl-1H-indazol-5-yl)carbamoyl]benzoic acid has a molecular weight of 358.36 g/mol, XLogP of 3.58, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-pyridin-4-yl-1H-indazol-5-yl)carbamoyl]benzoic acid is sourced from PubChem (CID 22479866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).