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

C21H16F3N5O2 — CID 26048585

IUPAC6-cyclopropyl-3-methyl-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1noc2nc(C3CC3)cc(C(=O)Nc3cc(C(F)(F)F)ccc3-n3cccn3)c12
InChIInChI=1S/C21H16F3N5O2/c1-11-18-14(10-15(12-3-4-12)27-20(18)31-28-11)19(30)26-16-9-13(21(22,23)24)5-6-17(16)29-8-2-7-25-29/h2,5-10,12H,3-4H2,1H3,(H,26,30)
InChIKeyCRKPBBIFZOPAGZ-UHFFFAOYSA-N
MW427.39 g/mol
LogP4.87
Rot. Bonds4

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

6-cyclopropyl-3-methyl-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 26048585) has the molecular formula C21H16F3N5O2 and a molecular weight of 427.39 g/mol. Its IUPAC name is 6-cyclopropyl-3-methyl-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-3-methyl-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID26048585
Molecular FormulaC21H16F3N5O2
Molecular Weight427.39 g/mol
Exact Mass427.13
IUPAC Name6-cyclopropyl-3-methyl-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1noc2nc(C3CC3)cc(C(=O)Nc3cc(C(F)(F)F)ccc3-n3cccn3)c12
InChIInChI=1S/C21H16F3N5O2/c1-11-18-14(10-15(12-3-4-12)27-20(18)31-28-11)19(30)26-16-9-13(21(22,23)24)5-6-17(16)29-8-2-7-25-29/h2,5-10,12H,3-4H2,1H3,(H,26,30)
InChIKeyCRKPBBIFZOPAGZ-UHFFFAOYSA-N
XLogP4.87
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.39
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-cyclopropyl-1,3-dimethyl-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide
CID 44822712
N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]benzamide
CID 26725448
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 120605549
N-(3-acetamido-2,4-dimethylphenyl)-6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 56797790
6-cyclopropyl-3-methyl-N-(3-phenyl-1,2-oxazol-5-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 171314992
4-pyrazol-1-yl-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]benzamide
CID 26725796
6-cyclopropyl-3-methyl-N-(5-piperidin-1-ylisoquinolin-8-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 37314122
6-cyclopropyl-N-[2-(ethylaminomethyl)phenyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride
CID 119440730
6-cyclopropyl-3-methyl-N-[3-(tetrazol-1-yl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 41191510
N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]cyclohex-3-ene-1-carboxamide
CID 46616677
6-cyclopropyl-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 17492725
3-methyl-6-phenyl-N-(2-pyrazol-1-yl-3-pyridinyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 30884891

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-3-methyl-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 6-cyclopropyl-3-methyl-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 26048585) is 6-cyclopropyl-3-methyl-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 6-cyclopropyl-3-methyl-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-cyclopropyl-3-methyl-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is Cc1noc2nc(C3CC3)cc(C(=O)Nc3cc(C(F)(F)F)ccc3-n3cccn3)c12.
What is the InChIKey of 6-cyclopropyl-3-methyl-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is CRKPBBIFZOPAGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F3N5O2/c1-11-18-14(10-15(12-3-4-12)27-20(18)31-28-11)19(30)26-16-9-13(21(22,23)24)5-6-17(16)29-8-2-7-25-29/h2,5-10,12H,3-4H2,1H3,(H,26,30).
What are the key properties of 6-cyclopropyl-3-methyl-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
6-cyclopropyl-3-methyl-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 427.39 g/mol, XLogP of 4.87, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-3-methyl-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 26048585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).