6-(5-methyl-1H-indazol-4-yl)-2-phenylpyrimidine-4-carboxylic acid

C19H14N4O2 — CID 170346575

IUPAC6-(5-methyl-1H-indazol-4-yl)-2-phenylpyrimidine-4-carboxylic acid
SMILESCc1ccc2[nH]ncc2c1-c1cc(C(=O)O)nc(-c2ccccc2)n1
InChIInChI=1S/C19H14N4O2/c1-11-7-8-14-13(10-20-23-14)17(11)15-9-16(19(24)25)22-18(21-15)12-5-3-2-4-6-12/h2-10H,1H3,(H,20,23)(H,24,25)
InChIKeyUAFAKXXFZULBMT-UHFFFAOYSA-N
MW330.35 g/mol
LogP3.69
Rot. Bonds3

About 6-(5-methyl-1H-indazol-4-yl)-2-phenylpyrimidine-4-carboxylic acid

6-(5-methyl-1H-indazol-4-yl)-2-phenylpyrimidine-4-carboxylic acid (PubChem CID 170346575) has the molecular formula C19H14N4O2 and a molecular weight of 330.35 g/mol. Its IUPAC name is 6-(5-methyl-1H-indazol-4-yl)-2-phenylpyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name6-(5-methyl-1H-indazol-4-yl)-2-phenylpyrimidine-4-carboxylic acid
PubChem CID170346575
Molecular FormulaC19H14N4O2
Molecular Weight330.35 g/mol
Exact Mass330.11
IUPAC Name6-(5-methyl-1H-indazol-4-yl)-2-phenylpyrimidine-4-carboxylic acid
SMILESCc1ccc2[nH]ncc2c1-c1cc(C(=O)O)nc(-c2ccccc2)n1
InChIInChI=1S/C19H14N4O2/c1-11-7-8-14-13(10-20-23-14)17(11)15-9-16(19(24)25)22-18(21-15)12-5-3-2-4-6-12/h2-10H,1H3,(H,20,23)(H,24,25)
InChIKeyUAFAKXXFZULBMT-UHFFFAOYSA-N
XLogP3.69
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-fluoro-3-pyridinyl)-6-(5-methyl-1H-indazol-4-yl)pyrimidine-4-carbohydrazide
CID 176887235
5-amino-2-(3-cyanophenyl)-6-(5-methyl-1H-indazol-4-yl)pyrimidine-4-carboxamide
CID 170346800
ethyl 2-[3-[5-amino-4-carbamoyl-6-(5-methyl-1H-indazol-4-yl)pyrimidin-2-yl]phenoxy]acetate
CID 177283420
7-(5-methyl-1H-indazol-4-yl)isoquinoline-1-carboxamide
CID 71115097
6-(dimethylamino)-2-phenylpyrimidine-4-carboxylic acid
CID 82170133
methyl 3-(hydroxymethyl)-5-(5-methyl-1H-indazol-4-yl)benzoate
CID 146457057
ethyl 2,6-diphenylpyrimidine-4-carboxylate
CID 15372800
5-amino-6-(5-methyl-1H-indazol-4-yl)-2-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-4-carboxamide
CID 177283695
(E)-3-amino-2-[N'-(5-methyl-1H-indazol-4-yl)carbamimidoyl]-3-phenylprop-2-enamide
CID 171827691
3-amino-4-(5-methyl-1H-indazol-4-yl)-6-(6-morpholin-4-yl-2-pyridinyl)pyridine-2-carboxamide
CID 177283615
3-amino-4-(5-methyl-1H-indazol-4-yl)-6-(1-methylpyrazol-3-yl)pyridine-2-carboxamide
CID 177283554
1-methyl-2-phenyl-6H-pyrrolo[2,3-e]indazole-3-carboxylic acid
CID 123906723

Frequently Asked Questions

What is the IUPAC name of 6-(5-methyl-1H-indazol-4-yl)-2-phenylpyrimidine-4-carboxylic acid?
The IUPAC name of 6-(5-methyl-1H-indazol-4-yl)-2-phenylpyrimidine-4-carboxylic acid (CID 170346575) is 6-(5-methyl-1H-indazol-4-yl)-2-phenylpyrimidine-4-carboxylic acid.
What is the SMILES notation for 6-(5-methyl-1H-indazol-4-yl)-2-phenylpyrimidine-4-carboxylic acid?
The canonical SMILES for 6-(5-methyl-1H-indazol-4-yl)-2-phenylpyrimidine-4-carboxylic acid is Cc1ccc2[nH]ncc2c1-c1cc(C(=O)O)nc(-c2ccccc2)n1.
What is the InChIKey of 6-(5-methyl-1H-indazol-4-yl)-2-phenylpyrimidine-4-carboxylic acid?
The InChIKey is UAFAKXXFZULBMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4O2/c1-11-7-8-14-13(10-20-23-14)17(11)15-9-16(19(24)25)22-18(21-15)12-5-3-2-4-6-12/h2-10H,1H3,(H,20,23)(H,24,25).
What are the key properties of 6-(5-methyl-1H-indazol-4-yl)-2-phenylpyrimidine-4-carboxylic acid?
6-(5-methyl-1H-indazol-4-yl)-2-phenylpyrimidine-4-carboxylic acid has a molecular weight of 330.35 g/mol, XLogP of 3.69, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-methyl-1H-indazol-4-yl)-2-phenylpyrimidine-4-carboxylic acid is sourced from PubChem (CID 170346575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).