5-amino-N-[2-methyl-5-(1,2-oxazol-3-ylcarbamoyl)phenyl]-1-pyridin-2-ylpyrazole-4-carboxamide

C20H17N7O3 — CID 52943788

IUPAC5-amino-N-[2-methyl-5-(1,2-oxazol-3-ylcarbamoyl)phenyl]-1-pyridin-2-ylpyrazole-4-carboxamide
SMILESCc1ccc(C(=O)Nc2ccon2)cc1NC(=O)c1cnn(-c2ccccn2)c1N
InChIInChI=1S/C20H17N7O3/c1-12-5-6-13(19(28)25-16-7-9-30-26-16)10-15(12)24-20(29)14-11-23-27(18(14)21)17-4-2-3-8-22-17/h2-11H,21H2,1H3,(H,24,29)(H,25,26,28)
InChIKeyJUEAPDGBQHJSBA-UHFFFAOYSA-N
MW403.40 g/mol
LogP2.65
Rot. Bonds5

About 5-amino-N-[2-methyl-5-(1,2-oxazol-3-ylcarbamoyl)phenyl]-1-pyridin-2-ylpyrazole-4-carboxamide

5-amino-N-[2-methyl-5-(1,2-oxazol-3-ylcarbamoyl)phenyl]-1-pyridin-2-ylpyrazole-4-carboxamide (PubChem CID 52943788) has the molecular formula C20H17N7O3 and a molecular weight of 403.40 g/mol. Its IUPAC name is 5-amino-N-[2-methyl-5-(1,2-oxazol-3-ylcarbamoyl)phenyl]-1-pyridin-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-[2-methyl-5-(1,2-oxazol-3-ylcarbamoyl)phenyl]-1-pyridin-2-ylpyrazole-4-carboxamide
PubChem CID52943788
Molecular FormulaC20H17N7O3
Molecular Weight403.40 g/mol
Exact Mass403.14
IUPAC Name5-amino-N-[2-methyl-5-(1,2-oxazol-3-ylcarbamoyl)phenyl]-1-pyridin-2-ylpyrazole-4-carboxamide
SMILESCc1ccc(C(=O)Nc2ccon2)cc1NC(=O)c1cnn(-c2ccccn2)c1N
InChIInChI=1S/C20H17N7O3/c1-12-5-6-13(19(28)25-16-7-9-30-26-16)10-15(12)24-20(29)14-11-23-27(18(14)21)17-4-2-3-8-22-17/h2-11H,21H2,1H3,(H,24,29)(H,25,26,28)
InChIKeyJUEAPDGBQHJSBA-UHFFFAOYSA-N
XLogP2.65
TPSA140.96 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.40
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

3-({5-cyano-6-[(1-methylethyl)amino]pyrimidin-4-yl}amino)-N-isoxazol-3-yl-4-methylbenzamide
CID 11660832
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5-amino-1-(2-fluorophenyl)-N-(5-(isoxazol-3-ylcarbamoyl)-2-methylphenyl)-1H-pyrazole-4-carboxamide
CID 49838879
4-{[5-(isoxazol-3-ylcarbamoyl)-2-methylphenyl]amino}-5-methyl-N-propylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide
CID 10002975
3-{[5-cyano-6-(cyclopentylamino)pyrimidin-4-yl]amino}-N-isoxazol-3-yl-4-methylbenzamide
CID 11235063
4-(4-Morpholinylamino)benzoic acid
CID 16730109
3-[1-(2,6-difluorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-5-yl]-4-methyl-N-(1,2-oxazol-3-yl)benzamide
CID 25118573
5-(ethylamino)-N-(5-(isoxazol-3-ylcarbamoyl)-2-methylphenyl)-1-o-tolyl-1H-pyrazole-4-carboxamide
CID 52948828
N-Ethyl-4-(5-(isoxazol-3-ylcarbamoyl)-2-methylphenylamino)-5-methylpyrrolo[1,2-f][1,2,4]triazine-6-carboxamide
CID 10319912
3-[(6-benzoyl-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]-4-methyl-N-(1,2-oxazol-3-yl)benzamide
CID 10389147
5-amino-N-(5-(1-ethyl-1H-pyrazol-5-ylcarbamoyl)-2-methylphenyl)-1-phenyl-1H-pyrazole-4-carboxamide
CID 52941332
5-amino-1-(2-fluorophenyl)-N-(2-methyl-5-(1-methyl-1H-pyrazol-5-ylcarbamoyl)phenyl)-1H-pyrazole-4-carboxamide
CID 52941458

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[2-methyl-5-(1,2-oxazol-3-ylcarbamoyl)phenyl]-1-pyridin-2-ylpyrazole-4-carboxamide?
The IUPAC name of 5-amino-N-[2-methyl-5-(1,2-oxazol-3-ylcarbamoyl)phenyl]-1-pyridin-2-ylpyrazole-4-carboxamide (CID 52943788) is 5-amino-N-[2-methyl-5-(1,2-oxazol-3-ylcarbamoyl)phenyl]-1-pyridin-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-N-[2-methyl-5-(1,2-oxazol-3-ylcarbamoyl)phenyl]-1-pyridin-2-ylpyrazole-4-carboxamide?
The canonical SMILES for 5-amino-N-[2-methyl-5-(1,2-oxazol-3-ylcarbamoyl)phenyl]-1-pyridin-2-ylpyrazole-4-carboxamide is Cc1ccc(C(=O)Nc2ccon2)cc1NC(=O)c1cnn(-c2ccccn2)c1N.
What is the InChIKey of 5-amino-N-[2-methyl-5-(1,2-oxazol-3-ylcarbamoyl)phenyl]-1-pyridin-2-ylpyrazole-4-carboxamide?
The InChIKey is JUEAPDGBQHJSBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N7O3/c1-12-5-6-13(19(28)25-16-7-9-30-26-16)10-15(12)24-20(29)14-11-23-27(18(14)21)17-4-2-3-8-22-17/h2-11H,21H2,1H3,(H,24,29)(H,25,26,28).
What are the key properties of 5-amino-N-[2-methyl-5-(1,2-oxazol-3-ylcarbamoyl)phenyl]-1-pyridin-2-ylpyrazole-4-carboxamide?
5-amino-N-[2-methyl-5-(1,2-oxazol-3-ylcarbamoyl)phenyl]-1-pyridin-2-ylpyrazole-4-carboxamide has a molecular weight of 403.40 g/mol, XLogP of 2.65, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[2-methyl-5-(1,2-oxazol-3-ylcarbamoyl)phenyl]-1-pyridin-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 52943788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).