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

C21H19F2N5O3 — CID 171315320

IUPAC6-[3-(difluoromethoxy)phenyl]-N-[(1-ethylpyrazol-4-yl)methyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCCn1cc(CNC(=O)c2cc(-c3cccc(OC(F)F)c3)nc3onc(C)c23)cn1
InChIInChI=1S/C21H19F2N5O3/c1-3-28-11-13(10-25-28)9-24-19(29)16-8-17(26-20-18(16)12(2)27-31-20)14-5-4-6-15(7-14)30-21(22)23/h4-8,10-11,21H,3,9H2,1-2H3,(H,24,29)
InChIKeyWSCPNFPKGVVKQP-UHFFFAOYSA-N
MW427.41 g/mol
LogP3.95
Rot. Bonds7

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

6-[3-(difluoromethoxy)phenyl]-N-[(1-ethylpyrazol-4-yl)methyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 171315320) has the molecular formula C21H19F2N5O3 and a molecular weight of 427.41 g/mol. Its IUPAC name is 6-[3-(difluoromethoxy)phenyl]-N-[(1-ethylpyrazol-4-yl)methyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-[3-(difluoromethoxy)phenyl]-N-[(1-ethylpyrazol-4-yl)methyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID171315320
Molecular FormulaC21H19F2N5O3
Molecular Weight427.41 g/mol
Exact Mass427.15
IUPAC Name6-[3-(difluoromethoxy)phenyl]-N-[(1-ethylpyrazol-4-yl)methyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCCn1cc(CNC(=O)c2cc(-c3cccc(OC(F)F)c3)nc3onc(C)c23)cn1
InChIInChI=1S/C21H19F2N5O3/c1-3-28-11-13(10-25-28)9-24-19(29)16-8-17(26-20-18(16)12(2)27-31-20)14-5-4-6-15(7-14)30-21(22)23/h4-8,10-11,21H,3,9H2,1-2H3,(H,24,29)
InChIKeyWSCPNFPKGVVKQP-UHFFFAOYSA-N
XLogP3.95
TPSA95.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.41
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[3-(difluoromethoxy)phenyl]-N-[(1-ethylpyrazol-4-yl)methyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 6-[3-(difluoromethoxy)phenyl]-N-[(1-ethylpyrazol-4-yl)methyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 171315320) is 6-[3-(difluoromethoxy)phenyl]-N-[(1-ethylpyrazol-4-yl)methyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 6-[3-(difluoromethoxy)phenyl]-N-[(1-ethylpyrazol-4-yl)methyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-[3-(difluoromethoxy)phenyl]-N-[(1-ethylpyrazol-4-yl)methyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is CCn1cc(CNC(=O)c2cc(-c3cccc(OC(F)F)c3)nc3onc(C)c23)cn1.
What is the InChIKey of 6-[3-(difluoromethoxy)phenyl]-N-[(1-ethylpyrazol-4-yl)methyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is WSCPNFPKGVVKQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F2N5O3/c1-3-28-11-13(10-25-28)9-24-19(29)16-8-17(26-20-18(16)12(2)27-31-20)14-5-4-6-15(7-14)30-21(22)23/h4-8,10-11,21H,3,9H2,1-2H3,(H,24,29).
What are the key properties of 6-[3-(difluoromethoxy)phenyl]-N-[(1-ethylpyrazol-4-yl)methyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
6-[3-(difluoromethoxy)phenyl]-N-[(1-ethylpyrazol-4-yl)methyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 427.41 g/mol, XLogP of 3.95, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(difluoromethoxy)phenyl]-N-[(1-ethylpyrazol-4-yl)methyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 171315320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).