N-[2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide

C20H19F3N6O2 — CID 177051111

IUPACN-[2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
SMILESO=C(NC1CCCn2nc(-c3ccnc(C(F)(F)F)c3)cc21)c1cc2n(n1)CCCO2
InChIInChI=1S/C20H19F3N6O2/c21-20(22,23)17-9-12(4-5-24-17)14-10-16-13(3-1-6-28(16)26-14)25-19(30)15-11-18-29(27-15)7-2-8-31-18/h4-5,9-11,13H,1-3,6-8H2,(H,25,30)
InChIKeyQXQJUHVCOORXLX-UHFFFAOYSA-N
MW432.41 g/mol
LogP3.21
Rot. Bonds3

About N-[2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide

N-[2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide (PubChem CID 177051111) has the molecular formula C20H19F3N6O2 and a molecular weight of 432.41 g/mol. Its IUPAC name is N-[2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
PubChem CID177051111
Molecular FormulaC20H19F3N6O2
Molecular Weight432.41 g/mol
Exact Mass432.15
IUPAC NameN-[2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
SMILESO=C(NC1CCCn2nc(-c3ccnc(C(F)(F)F)c3)cc21)c1cc2n(n1)CCCO2
InChIInChI=1S/C20H19F3N6O2/c21-20(22,23)17-9-12(4-5-24-17)14-10-16-13(3-1-6-28(16)26-14)25-19(30)15-11-18-29(27-15)7-2-8-31-18/h4-5,9-11,13H,1-3,6-8H2,(H,25,30)
InChIKeyQXQJUHVCOORXLX-UHFFFAOYSA-N
XLogP3.21
TPSA86.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.41
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide with MolForge

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Related Compounds

Pyrazolo[1,5-a]pyrazine-5(4H)-acetamide, 6-[4-fluoro-3-(trifluoromethyl)phenyl]-N-(1-methylethyl)-4-oxo-2-[3-(1-piperidinyl)propoxy]-
CID 44466239
US10323042, Example 27
CID 130380472
US9914735, Example 51
CID 118401290
US9914735, Example 61
CID 122498425
US11597728, Example 189
CID 168058580
US11597728, Example 202
CID 168058591
[(2S,3R)-5,5-difluoro-3-methyl-2-[[5-(trifluoromethyl)pyridin-2-yl]oxymethyl]piperidin-1-yl]-(1-methyl-4-pyridin-2-ylpyrazol-3-yl)methanone
CID 130298604
[(3R)-5,5-difluoro-3-methyl-2-[[5-(trifluoromethyl)pyridin-2-yl]oxymethyl]piperidin-1-yl]-[1-methyl-4-(5-methylpyridin-2-yl)pyrazol-3-yl]methanone
CID 138624141
US10131664, Example 57
CID 118152087
US9617282, Example 212
CID 118641199
US10131664, Example 58
CID 122629341
5-[(2E)-3-(2-furyl)-2-methyl-2-propen-1-yl]-1-(2-phenylethyl)-N-(2-pyridinylmethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 26136700

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide?
The IUPAC name of N-[2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide (CID 177051111) is N-[2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide.
What is the SMILES notation for N-[2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide?
The canonical SMILES for N-[2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide is O=C(NC1CCCn2nc(-c3ccnc(C(F)(F)F)c3)cc21)c1cc2n(n1)CCCO2.
What is the InChIKey of N-[2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide?
The InChIKey is QXQJUHVCOORXLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N6O2/c21-20(22,23)17-9-12(4-5-24-17)14-10-16-13(3-1-6-28(16)26-14)25-19(30)15-11-18-29(27-15)7-2-8-31-18/h4-5,9-11,13H,1-3,6-8H2,(H,25,30).
What are the key properties of N-[2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide?
N-[2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide has a molecular weight of 432.41 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide is sourced from PubChem (CID 177051111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).