2-propan-2-yl-N-[2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-1,3-oxazole-4-carboxamide

C20H20F3N5O2 — CID 177051341

IUPAC2-propan-2-yl-N-[2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-1,3-oxazole-4-carboxamide
SMILESCC(C)c1nc(C(=O)NC2CCCn3nc(-c4ccnc(C(F)(F)F)c4)cc32)co1
InChIInChI=1S/C20H20F3N5O2/c1-11(2)19-26-15(10-30-19)18(29)25-13-4-3-7-28-16(13)9-14(27-28)12-5-6-24-17(8-12)20(21,22)23/h5-6,8-11,13H,3-4,7H2,1-2H3,(H,25,29)
InChIKeyZQIINYOMZVQESD-UHFFFAOYSA-N
MW419.41 g/mol
LogP4.34
Rot. Bonds4

About 2-propan-2-yl-N-[2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-1,3-oxazole-4-carboxamide

2-propan-2-yl-N-[2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-1,3-oxazole-4-carboxamide (PubChem CID 177051341) has the molecular formula C20H20F3N5O2 and a molecular weight of 419.41 g/mol. Its IUPAC name is 2-propan-2-yl-N-[2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-propan-2-yl-N-[2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-1,3-oxazole-4-carboxamide
PubChem CID177051341
Molecular FormulaC20H20F3N5O2
Molecular Weight419.41 g/mol
Exact Mass419.16
IUPAC Name2-propan-2-yl-N-[2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-1,3-oxazole-4-carboxamide
SMILESCC(C)c1nc(C(=O)NC2CCCn3nc(-c4ccnc(C(F)(F)F)c4)cc32)co1
InChIInChI=1S/C20H20F3N5O2/c1-11(2)19-26-15(10-30-19)18(29)25-13-4-3-7-28-16(13)9-14(27-28)12-5-6-24-17(8-12)20(21,22)23/h5-6,8-11,13H,3-4,7H2,1-2H3,(H,25,29)
InChIKeyZQIINYOMZVQESD-UHFFFAOYSA-N
XLogP4.34
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.41
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-propan-2-yl-N-[2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-1,3-oxazole-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-N-[2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-propan-2-yl-N-[2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-1,3-oxazole-4-carboxamide (CID 177051341) is 2-propan-2-yl-N-[2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-propan-2-yl-N-[2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-propan-2-yl-N-[2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-1,3-oxazole-4-carboxamide is CC(C)c1nc(C(=O)NC2CCCn3nc(-c4ccnc(C(F)(F)F)c4)cc32)co1.
What is the InChIKey of 2-propan-2-yl-N-[2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-1,3-oxazole-4-carboxamide?
The InChIKey is ZQIINYOMZVQESD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N5O2/c1-11(2)19-26-15(10-30-19)18(29)25-13-4-3-7-28-16(13)9-14(27-28)12-5-6-24-17(8-12)20(21,22)23/h5-6,8-11,13H,3-4,7H2,1-2H3,(H,25,29).
What are the key properties of 2-propan-2-yl-N-[2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-1,3-oxazole-4-carboxamide?
2-propan-2-yl-N-[2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-1,3-oxazole-4-carboxamide has a molecular weight of 419.41 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-N-[2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 177051341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).