5-[(2-propan-2-ylindazol-6-yl)carbamoyl]pyrazine-2-carboxylic acid

C16H15N5O3 — CID 167914001

IUPAC5-[(2-propan-2-ylindazol-6-yl)carbamoyl]pyrazine-2-carboxylic acid
SMILESCC(C)n1cc2ccc(NC(=O)c3cnc(C(=O)O)cn3)cc2n1
InChIInChI=1S/C16H15N5O3/c1-9(2)21-8-10-3-4-11(5-12(10)20-21)19-15(22)13-6-18-14(7-17-13)16(23)24/h3-9H,1-2H3,(H,19,22)(H,23,24)
InChIKeyRMEYJWPWJLDQOQ-UHFFFAOYSA-N
MW325.33 g/mol
LogP2.36
Rot. Bonds4

About 5-[(2-propan-2-ylindazol-6-yl)carbamoyl]pyrazine-2-carboxylic acid

5-[(2-propan-2-ylindazol-6-yl)carbamoyl]pyrazine-2-carboxylic acid (PubChem CID 167914001) has the molecular formula C16H15N5O3 and a molecular weight of 325.33 g/mol. Its IUPAC name is 5-[(2-propan-2-ylindazol-6-yl)carbamoyl]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-[(2-propan-2-ylindazol-6-yl)carbamoyl]pyrazine-2-carboxylic acid
PubChem CID167914001
Molecular FormulaC16H15N5O3
Molecular Weight325.33 g/mol
Exact Mass325.12
IUPAC Name5-[(2-propan-2-ylindazol-6-yl)carbamoyl]pyrazine-2-carboxylic acid
SMILESCC(C)n1cc2ccc(NC(=O)c3cnc(C(=O)O)cn3)cc2n1
InChIInChI=1S/C16H15N5O3/c1-9(2)21-8-10-3-4-11(5-12(10)20-21)19-15(22)13-6-18-14(7-17-13)16(23)24/h3-9H,1-2H3,(H,19,22)(H,23,24)
InChIKeyRMEYJWPWJLDQOQ-UHFFFAOYSA-N
XLogP2.36
TPSA110.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.33
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-[(2-propan-2-ylindazol-6-yl)carbamoyl]pyrazine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-oxo-2-[(2-propan-2-ylindazol-6-yl)amino]ethyl]benzamide
CID 71874535
5-(furan-2-yl)-N-(2-propan-2-ylindazol-6-yl)-1H-pyrazole-3-carboxamide
CID 146128437
5-[(3-methyl-4-propan-2-yloxyphenyl)carbamoyl]pyrazine-2-carboxylic acid
CID 120685767
5-[(4-tert-butylphenyl)carbamoyl]pyrazine-2-carboxylic acid
CID 120684723
6-chloro-2-propan-2-ylindazole
CID 84720409
1-(2-cyanobenzoyl)-N-(2-propan-2-ylindazol-6-yl)piperidine-4-carboxamide
CID 46909213
5-[(4-butylphenyl)carbamoyl]pyrazine-2-carboxylic acid
CID 120684737
5-[(4-cyclobutyloxy-3-fluorophenyl)carbamoyl]pyrazine-2-carboxylic acid
CID 120689111
5-[(5-chloropyrazine-2-carbonyl)amino]pyridine-2-carboxylic acid
CID 107371641
2-chloro-5-[(5-chloropyrazine-2-carbonyl)amino]benzoic acid
CID 107371455
5-[(5-chloropyrazine-2-carbonyl)amino]-2-methylbenzoic acid
CID 107371536
1-methyl-N-(2-methyl-1,3-benzothiazol-5-yl)pyrazole-3-carboxamide
CID 42110934

Frequently Asked Questions

What is the IUPAC name of 5-[(2-propan-2-ylindazol-6-yl)carbamoyl]pyrazine-2-carboxylic acid?
The IUPAC name of 5-[(2-propan-2-ylindazol-6-yl)carbamoyl]pyrazine-2-carboxylic acid (CID 167914001) is 5-[(2-propan-2-ylindazol-6-yl)carbamoyl]pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-[(2-propan-2-ylindazol-6-yl)carbamoyl]pyrazine-2-carboxylic acid?
The canonical SMILES for 5-[(2-propan-2-ylindazol-6-yl)carbamoyl]pyrazine-2-carboxylic acid is CC(C)n1cc2ccc(NC(=O)c3cnc(C(=O)O)cn3)cc2n1.
What is the InChIKey of 5-[(2-propan-2-ylindazol-6-yl)carbamoyl]pyrazine-2-carboxylic acid?
The InChIKey is RMEYJWPWJLDQOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O3/c1-9(2)21-8-10-3-4-11(5-12(10)20-21)19-15(22)13-6-18-14(7-17-13)16(23)24/h3-9H,1-2H3,(H,19,22)(H,23,24).
What are the key properties of 5-[(2-propan-2-ylindazol-6-yl)carbamoyl]pyrazine-2-carboxylic acid?
5-[(2-propan-2-ylindazol-6-yl)carbamoyl]pyrazine-2-carboxylic acid has a molecular weight of 325.33 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-propan-2-ylindazol-6-yl)carbamoyl]pyrazine-2-carboxylic acid is sourced from PubChem (CID 167914001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).