6-[3-(difluoromethoxy)phenyl]-3-methyl-N-(1-propan-2-ylpyrazol-3-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

C21H19F2N5O3 — CID 171315468

IUPAC6-[3-(difluoromethoxy)phenyl]-3-methyl-N-(1-propan-2-ylpyrazol-3-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1noc2nc(-c3cccc(OC(F)F)c3)cc(C(=O)Nc3ccn(C(C)C)n3)c12
InChIInChI=1S/C21H19F2N5O3/c1-11(2)28-8-7-17(26-28)25-19(29)15-10-16(24-20-18(15)12(3)27-31-20)13-5-4-6-14(9-13)30-21(22)23/h4-11,21H,1-3H3,(H,25,26,29)
InChIKeyLCRHWSRXTRETOE-UHFFFAOYSA-N
MW427.41 g/mol
LogP4.83
Rot. Bonds6

About 6-[3-(difluoromethoxy)phenyl]-3-methyl-N-(1-propan-2-ylpyrazol-3-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

6-[3-(difluoromethoxy)phenyl]-3-methyl-N-(1-propan-2-ylpyrazol-3-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 171315468) has the molecular formula C21H19F2N5O3 and a molecular weight of 427.41 g/mol. Its IUPAC name is 6-[3-(difluoromethoxy)phenyl]-3-methyl-N-(1-propan-2-ylpyrazol-3-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-[3-(difluoromethoxy)phenyl]-3-methyl-N-(1-propan-2-ylpyrazol-3-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID171315468
Molecular FormulaC21H19F2N5O3
Molecular Weight427.41 g/mol
Exact Mass427.15
IUPAC Name6-[3-(difluoromethoxy)phenyl]-3-methyl-N-(1-propan-2-ylpyrazol-3-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1noc2nc(-c3cccc(OC(F)F)c3)cc(C(=O)Nc3ccn(C(C)C)n3)c12
InChIInChI=1S/C21H19F2N5O3/c1-11(2)28-8-7-17(26-28)25-19(29)15-10-16(24-20-18(15)12(3)27-31-20)13-5-4-6-14(9-13)30-21(22)23/h4-11,21H,1-3H3,(H,25,26,29)
InChIKeyLCRHWSRXTRETOE-UHFFFAOYSA-N
XLogP4.83
TPSA95.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.41
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-[3-(difluoromethoxy)phenyl]-3-methyl-N-(1-propan-2-ylpyrazol-3-yl)-[1,2]oxazolo[5,4-b]pyridine-4-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 6-[3-(difluoromethoxy)phenyl]-3-methyl-N-(1-propan-2-ylpyrazol-3-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 6-[3-(difluoromethoxy)phenyl]-3-methyl-N-(1-propan-2-ylpyrazol-3-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 171315468) is 6-[3-(difluoromethoxy)phenyl]-3-methyl-N-(1-propan-2-ylpyrazol-3-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 6-[3-(difluoromethoxy)phenyl]-3-methyl-N-(1-propan-2-ylpyrazol-3-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-[3-(difluoromethoxy)phenyl]-3-methyl-N-(1-propan-2-ylpyrazol-3-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is Cc1noc2nc(-c3cccc(OC(F)F)c3)cc(C(=O)Nc3ccn(C(C)C)n3)c12.
What is the InChIKey of 6-[3-(difluoromethoxy)phenyl]-3-methyl-N-(1-propan-2-ylpyrazol-3-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is LCRHWSRXTRETOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F2N5O3/c1-11(2)28-8-7-17(26-28)25-19(29)15-10-16(24-20-18(15)12(3)27-31-20)13-5-4-6-14(9-13)30-21(22)23/h4-11,21H,1-3H3,(H,25,26,29).
What are the key properties of 6-[3-(difluoromethoxy)phenyl]-3-methyl-N-(1-propan-2-ylpyrazol-3-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
6-[3-(difluoromethoxy)phenyl]-3-methyl-N-(1-propan-2-ylpyrazol-3-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 427.41 g/mol, XLogP of 4.83, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(difluoromethoxy)phenyl]-3-methyl-N-(1-propan-2-ylpyrazol-3-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 171315468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).