N-[2-[2-(1,2-oxazol-4-ylamino)-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide

C19H13F3N6O3 — CID 118173173

IUPACN-[2-[2-(1,2-oxazol-4-ylamino)-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESO=C(Cn1cc2cc(NC(=O)c3cccc(C(F)(F)F)n3)ccc2n1)Nc1cnoc1
InChIInChI=1S/C19H13F3N6O3/c20-19(21,22)16-3-1-2-15(26-16)18(30)25-12-4-5-14-11(6-12)8-28(27-14)9-17(29)24-13-7-23-31-10-13/h1-8,10H,9H2,(H,24,29)(H,25,30)
InChIKeyBHCQSRIPCGMVRR-UHFFFAOYSA-N
MW430.35 g/mol
LogP3.33
Rot. Bonds5

About N-[2-[2-(1,2-oxazol-4-ylamino)-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide

N-[2-[2-(1,2-oxazol-4-ylamino)-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 118173173) has the molecular formula C19H13F3N6O3 and a molecular weight of 430.35 g/mol. Its IUPAC name is N-[2-[2-(1,2-oxazol-4-ylamino)-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(1,2-oxazol-4-ylamino)-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID118173173
Molecular FormulaC19H13F3N6O3
Molecular Weight430.35 g/mol
Exact Mass430.10
IUPAC NameN-[2-[2-(1,2-oxazol-4-ylamino)-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESO=C(Cn1cc2cc(NC(=O)c3cccc(C(F)(F)F)n3)ccc2n1)Nc1cnoc1
InChIInChI=1S/C19H13F3N6O3/c20-19(21,22)16-3-1-2-15(26-16)18(30)25-12-4-5-14-11(6-12)8-28(27-14)9-17(29)24-13-7-23-31-10-13/h1-8,10H,9H2,(H,24,29)(H,25,30)
InChIKeyBHCQSRIPCGMVRR-UHFFFAOYSA-N
XLogP3.33
TPSA114.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.35
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[2-[2-(1,2-oxazol-4-ylamino)-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(1,2-oxazol-4-ylamino)-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-[2-[2-(1,2-oxazol-4-ylamino)-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (CID 118173173) is N-[2-[2-(1,2-oxazol-4-ylamino)-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[2-[2-(1,2-oxazol-4-ylamino)-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-[2-[2-(1,2-oxazol-4-ylamino)-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is O=C(Cn1cc2cc(NC(=O)c3cccc(C(F)(F)F)n3)ccc2n1)Nc1cnoc1.
What is the InChIKey of N-[2-[2-(1,2-oxazol-4-ylamino)-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is BHCQSRIPCGMVRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F3N6O3/c20-19(21,22)16-3-1-2-15(26-16)18(30)25-12-4-5-14-11(6-12)8-28(27-14)9-17(29)24-13-7-23-31-10-13/h1-8,10H,9H2,(H,24,29)(H,25,30).
What are the key properties of N-[2-[2-(1,2-oxazol-4-ylamino)-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
N-[2-[2-(1,2-oxazol-4-ylamino)-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 430.35 g/mol, XLogP of 3.33, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(1,2-oxazol-4-ylamino)-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 118173173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).