2-[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-5-methylpyrazol-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide

C19H16F3N7O2 — CID 176939055

IUPAC2-[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-5-methylpyrazol-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
SMILESCc1c(-c2ccn3nc(N)nc3c2)cnn1CC(=O)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C19H16F3N7O2/c1-11-15(12-6-7-28-16(8-12)26-18(23)27-28)9-24-29(11)10-17(30)25-13-2-4-14(5-3-13)31-19(20,21)22/h2-9H,10H2,1H3,(H2,23,27)(H,25,30)
InChIKeyMYNAWCJDCMQSAT-UHFFFAOYSA-N
MW431.38 g/mol
LogP3.02
Rot. Bonds5

About 2-[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-5-methylpyrazol-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide

2-[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-5-methylpyrazol-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide (PubChem CID 176939055) has the molecular formula C19H16F3N7O2 and a molecular weight of 431.38 g/mol. Its IUPAC name is 2-[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-5-methylpyrazol-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-5-methylpyrazol-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
PubChem CID176939055
Molecular FormulaC19H16F3N7O2
Molecular Weight431.38 g/mol
Exact Mass431.13
IUPAC Name2-[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-5-methylpyrazol-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
SMILESCc1c(-c2ccn3nc(N)nc3c2)cnn1CC(=O)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C19H16F3N7O2/c1-11-15(12-6-7-28-16(8-12)26-18(23)27-28)9-24-29(11)10-17(30)25-13-2-4-14(5-3-13)31-19(20,21)22/h2-9H,10H2,1H3,(H2,23,27)(H,25,30)
InChIKeyMYNAWCJDCMQSAT-UHFFFAOYSA-N
XLogP3.02
TPSA112.36 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.38
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-[3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)indazol-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 176939108
2-(4-chloro-5-methylpyrazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 19520566
2-[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazol-1-yl]-N-(4-ethoxyphenyl)acetamide
CID 176939316
2-[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazol-1-yl]-N-[4-(2-methoxyethoxy)phenyl]acetamide
CID 176939220
2-[6-oxo-3-(2,4,5-trimethylphenyl)pyridazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 41376766
2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 90542362
5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-methoxy-6-methyl-N-[2-[3-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide
CID 152535099
5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-6-chloro-N-[(1S)-1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide
CID 150943548
2-(5-tert-butyltetrazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 60548314
2-(2-methyl-4-oxo-7-thiophen-2-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 16906658
2-(4-methyl-7-oxo-1-phenylpyrazolo[4,5-d]pyridazin-6-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 16846137
3-(5-methyl-4-nitropyrazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 19568020

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-5-methylpyrazol-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide?
The IUPAC name of 2-[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-5-methylpyrazol-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide (CID 176939055) is 2-[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-5-methylpyrazol-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide.
What is the SMILES notation for 2-[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-5-methylpyrazol-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide?
The canonical SMILES for 2-[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-5-methylpyrazol-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide is Cc1c(-c2ccn3nc(N)nc3c2)cnn1CC(=O)Nc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 2-[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-5-methylpyrazol-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide?
The InChIKey is MYNAWCJDCMQSAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N7O2/c1-11-15(12-6-7-28-16(8-12)26-18(23)27-28)9-24-29(11)10-17(30)25-13-2-4-14(5-3-13)31-19(20,21)22/h2-9H,10H2,1H3,(H2,23,27)(H,25,30).
What are the key properties of 2-[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-5-methylpyrazol-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide?
2-[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-5-methylpyrazol-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide has a molecular weight of 431.38 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-5-methylpyrazol-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide is sourced from PubChem (CID 176939055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).