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

C19H15F6N5O2 — CID 177051301

IUPAC4-methyl-2-(trifluoromethyl)-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-1,3-oxazole-5-carboxamide
SMILESCc1nc(C(F)(F)F)oc1C(=O)N[C@H]1CCCn2nc(-c3ccnc(C(F)(F)F)c3)cc21
InChIInChI=1S/C19H15F6N5O2/c1-9-15(32-17(27-9)19(23,24)25)16(31)28-11-3-2-6-30-13(11)8-12(29-30)10-4-5-26-14(7-10)18(20,21)22/h4-5,7-8,11H,2-3,6H2,1H3,(H,28,31)/t11-/m0/s1
InChIKeyDWTWHSHVSPFTDG-NSHDSACASA-N
MW459.35 g/mol
LogP4.54
Rot. Bonds3

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

4-methyl-2-(trifluoromethyl)-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-1,3-oxazole-5-carboxamide (PubChem CID 177051301) has the molecular formula C19H15F6N5O2 and a molecular weight of 459.35 g/mol. Its IUPAC name is 4-methyl-2-(trifluoromethyl)-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-2-(trifluoromethyl)-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-1,3-oxazole-5-carboxamide
PubChem CID177051301
Molecular FormulaC19H15F6N5O2
Molecular Weight459.35 g/mol
Exact Mass459.11
IUPAC Name4-methyl-2-(trifluoromethyl)-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-1,3-oxazole-5-carboxamide
SMILESCc1nc(C(F)(F)F)oc1C(=O)N[C@H]1CCCn2nc(-c3ccnc(C(F)(F)F)c3)cc21
InChIInChI=1S/C19H15F6N5O2/c1-9-15(32-17(27-9)19(23,24)25)16(31)28-11-3-2-6-30-13(11)8-12(29-30)10-4-5-26-14(7-10)18(20,21)22/h4-5,7-8,11H,2-3,6H2,1H3,(H,28,31)/t11-/m0/s1
InChIKeyDWTWHSHVSPFTDG-NSHDSACASA-N
XLogP4.54
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.35
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

N-[3-[6-[3-(difluoromethyl)pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-4-fluorophenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 118162655
N-[1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydro-1H-indazol-4-yl]-4-methyl-1,3-oxazole-5-carboxamide
CID 24791110
N-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4-methyl-5-oxazolecarboxamide
CID 24793445
N-[1-(4-fluorophenyl)-6,6-dimethyl-4,5,6,7-tetrahydro-1H-indazol-4-yl]-4-methyl-1,3-oxazole-5-carboxamide
CID 24793919
N-[1-(3,5-difluorophenyl)-4,5,6,7-tetrahydro-1H-indazol-4-yl]-4-methyl-1,3-oxazole-5-carboxamide
CID 45232548
N-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)-4-methyl-1,3-oxazole-5-carboxamide
CID 24793434
(4-Methyl-1,3-oxazol-5-yl)-[4-[[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]amino]piperidin-1-yl]methanone
CID 56658803
4-methyl-N-[1-[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-1,3-oxazole-5-carboxamide
CID 56676116
(2,4-dimethyl-1,3-oxazol-5-yl)-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]methanone
CID 155534937
N-({2-Benzyl-1H,2H,3H,4H-pyrrolo[1,2-A]pyrazin-3-YL}methyl)-4-methyl-1,3-oxazole-5-carboxamide
CID 124043607
N-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydro-1H-indazol-4-yl]-4-methyl-1,3-oxazole-5-carboxamide
CID 45229079
6-methoxy-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-4-yl]pyrazine-2-carboxamide
CID 177050603

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(trifluoromethyl)-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-1,3-oxazole-5-carboxamide?
The IUPAC name of 4-methyl-2-(trifluoromethyl)-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-1,3-oxazole-5-carboxamide (CID 177051301) is 4-methyl-2-(trifluoromethyl)-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-1,3-oxazole-5-carboxamide.
What is the SMILES notation for 4-methyl-2-(trifluoromethyl)-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-1,3-oxazole-5-carboxamide?
The canonical SMILES for 4-methyl-2-(trifluoromethyl)-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-1,3-oxazole-5-carboxamide is Cc1nc(C(F)(F)F)oc1C(=O)N[C@H]1CCCn2nc(-c3ccnc(C(F)(F)F)c3)cc21.
What is the InChIKey of 4-methyl-2-(trifluoromethyl)-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-1,3-oxazole-5-carboxamide?
The InChIKey is DWTWHSHVSPFTDG-NSHDSACASA-N. The full InChI is InChI=1S/C19H15F6N5O2/c1-9-15(32-17(27-9)19(23,24)25)16(31)28-11-3-2-6-30-13(11)8-12(29-30)10-4-5-26-14(7-10)18(20,21)22/h4-5,7-8,11H,2-3,6H2,1H3,(H,28,31)/t11-/m0/s1.
What are the key properties of 4-methyl-2-(trifluoromethyl)-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-1,3-oxazole-5-carboxamide?
4-methyl-2-(trifluoromethyl)-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-1,3-oxazole-5-carboxamide has a molecular weight of 459.35 g/mol, XLogP of 4.54, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(trifluoromethyl)-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 177051301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).