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

C17H14F6N6O2 — CID 177051076

IUPAC1-methyl-3-(trifluoromethyl)-N-[(4S)-2-[2-(trifluoromethyl)-1,3-oxazol-5-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]pyrazole-5-carboxamide
SMILESCn1nc(C(F)(F)F)cc1C(=O)N[C@H]1CCCn2nc(-c3cnc(C(F)(F)F)o3)cc21
InChIInChI=1S/C17H14F6N6O2/c1-28-11(6-13(27-28)16(18,19)20)14(30)25-8-3-2-4-29-10(8)5-9(26-29)12-7-24-15(31-12)17(21,22)23/h5-8H,2-4H2,1H3,(H,25,30)/t8-/m0/s1
InChIKeySDMZELVEBFYDHX-QMMMGPOBSA-N
MW448.33 g/mol
LogP3.57
Rot. Bonds3

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

1-methyl-3-(trifluoromethyl)-N-[(4S)-2-[2-(trifluoromethyl)-1,3-oxazol-5-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]pyrazole-5-carboxamide (PubChem CID 177051076) has the molecular formula C17H14F6N6O2 and a molecular weight of 448.33 g/mol. Its IUPAC name is 1-methyl-3-(trifluoromethyl)-N-[(4S)-2-[2-(trifluoromethyl)-1,3-oxazol-5-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-methyl-3-(trifluoromethyl)-N-[(4S)-2-[2-(trifluoromethyl)-1,3-oxazol-5-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]pyrazole-5-carboxamide
PubChem CID177051076
Molecular FormulaC17H14F6N6O2
Molecular Weight448.33 g/mol
Exact Mass448.11
IUPAC Name1-methyl-3-(trifluoromethyl)-N-[(4S)-2-[2-(trifluoromethyl)-1,3-oxazol-5-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]pyrazole-5-carboxamide
SMILESCn1nc(C(F)(F)F)cc1C(=O)N[C@H]1CCCn2nc(-c3cnc(C(F)(F)F)o3)cc21
InChIInChI=1S/C17H14F6N6O2/c1-28-11(6-13(27-28)16(18,19)20)14(30)25-8-3-2-4-29-10(8)5-9(26-29)12-7-24-15(31-12)17(21,22)23/h5-8H,2-4H2,1H3,(H,25,30)/t8-/m0/s1
InChIKeySDMZELVEBFYDHX-QMMMGPOBSA-N
XLogP3.57
TPSA90.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.33
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(trifluoromethyl)-N-[(4S)-2-[2-(trifluoromethyl)-1,3-oxazol-5-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]pyrazole-5-carboxamide?
The IUPAC name of 1-methyl-3-(trifluoromethyl)-N-[(4S)-2-[2-(trifluoromethyl)-1,3-oxazol-5-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]pyrazole-5-carboxamide (CID 177051076) is 1-methyl-3-(trifluoromethyl)-N-[(4S)-2-[2-(trifluoromethyl)-1,3-oxazol-5-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]pyrazole-5-carboxamide.
What is the SMILES notation for 1-methyl-3-(trifluoromethyl)-N-[(4S)-2-[2-(trifluoromethyl)-1,3-oxazol-5-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]pyrazole-5-carboxamide?
The canonical SMILES for 1-methyl-3-(trifluoromethyl)-N-[(4S)-2-[2-(trifluoromethyl)-1,3-oxazol-5-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]pyrazole-5-carboxamide is Cn1nc(C(F)(F)F)cc1C(=O)N[C@H]1CCCn2nc(-c3cnc(C(F)(F)F)o3)cc21.
What is the InChIKey of 1-methyl-3-(trifluoromethyl)-N-[(4S)-2-[2-(trifluoromethyl)-1,3-oxazol-5-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]pyrazole-5-carboxamide?
The InChIKey is SDMZELVEBFYDHX-QMMMGPOBSA-N. The full InChI is InChI=1S/C17H14F6N6O2/c1-28-11(6-13(27-28)16(18,19)20)14(30)25-8-3-2-4-29-10(8)5-9(26-29)12-7-24-15(31-12)17(21,22)23/h5-8H,2-4H2,1H3,(H,25,30)/t8-/m0/s1.
What are the key properties of 1-methyl-3-(trifluoromethyl)-N-[(4S)-2-[2-(trifluoromethyl)-1,3-oxazol-5-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]pyrazole-5-carboxamide?
1-methyl-3-(trifluoromethyl)-N-[(4S)-2-[2-(trifluoromethyl)-1,3-oxazol-5-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]pyrazole-5-carboxamide has a molecular weight of 448.33 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(trifluoromethyl)-N-[(4S)-2-[2-(trifluoromethyl)-1,3-oxazol-5-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]pyrazole-5-carboxamide is sourced from PubChem (CID 177051076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).