1-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]propane-2-sulfinamide

C16H19F3N4OS — CID 177296240

IUPAC1-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]propane-2-sulfinamide
SMILESCC(C[C@@H]1CCCn2nc(-c3ccnc(C(F)(F)F)c3)cc21)S(N)=O
InChIInChI=1S/C16H19F3N4OS/c1-10(25(20)24)7-12-3-2-6-23-14(12)9-13(22-23)11-4-5-21-15(8-11)16(17,18)19/h4-5,8-10,12H,2-3,6-7,20H2,1H3/t10?,12-,25?/m0/s1
InChIKeyONPYCKBQFYQDSE-QUKRGHGYSA-N
MW372.42 g/mol
LogP3.24
Rot. Bonds4

About 1-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]propane-2-sulfinamide

1-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]propane-2-sulfinamide (PubChem CID 177296240) has the molecular formula C16H19F3N4OS and a molecular weight of 372.42 g/mol. Its IUPAC name is 1-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]propane-2-sulfinamide.

Molecular Properties

Compound Name1-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]propane-2-sulfinamide
PubChem CID177296240
Molecular FormulaC16H19F3N4OS
Molecular Weight372.42 g/mol
Exact Mass372.12
IUPAC Name1-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]propane-2-sulfinamide
SMILESCC(C[C@@H]1CCCn2nc(-c3ccnc(C(F)(F)F)c3)cc21)S(N)=O
InChIInChI=1S/C16H19F3N4OS/c1-10(25(20)24)7-12-3-2-6-23-14(12)9-13(22-23)11-4-5-21-15(8-11)16(17,18)19/h4-5,8-10,12H,2-3,6-7,20H2,1H3/t10?,12-,25?/m0/s1
InChIKeyONPYCKBQFYQDSE-QUKRGHGYSA-N
XLogP3.24
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]propane-2-sulfinamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine;hydrochloride
CID 177296039
1-methyl-3-(trifluoromethyl)-N-[(4R)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]pyrazole-5-carboxamide
CID 177050533
2,6-dimethyl-N-[2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]pyridine-4-carboxamide
CID 177051168
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
5-(trifluoromethyl)-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]pyrazine-2-carboxamide
CID 177050534
(4S)-4-azido-2-[2-(trifluoromethyl)-4-pyridinyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole
CID 177051812
3-(trifluoromethyl)-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]benzamide
CID 177051267
4-[5-[(1R,5S)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-2-(trifluoromethyl)pyridine
CID 168906857
2-methyl-4-(trifluoromethyl)-N-[2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-1,3-thiazole-5-carboxamide
CID 177051543
3-chloro-5-(trifluoromethyl)-N-[2-[2-(trifluoromethyl)-4-pyridinyl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-4-yl]benzamide
CID 177050464
3-fluoro-5-methoxy-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]benzamide
CID 177050677
5-methyl-2-phenyl-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]pyrazole-3-carboxamide
CID 177050770

Frequently Asked Questions

What is the IUPAC name of 1-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]propane-2-sulfinamide?
The IUPAC name of 1-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]propane-2-sulfinamide (CID 177296240) is 1-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]propane-2-sulfinamide.
What is the SMILES notation for 1-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]propane-2-sulfinamide?
The canonical SMILES for 1-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]propane-2-sulfinamide is CC(C[C@@H]1CCCn2nc(-c3ccnc(C(F)(F)F)c3)cc21)S(N)=O.
What is the InChIKey of 1-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]propane-2-sulfinamide?
The InChIKey is ONPYCKBQFYQDSE-QUKRGHGYSA-N. The full InChI is InChI=1S/C16H19F3N4OS/c1-10(25(20)24)7-12-3-2-6-23-14(12)9-13(22-23)11-4-5-21-15(8-11)16(17,18)19/h4-5,8-10,12H,2-3,6-7,20H2,1H3/t10?,12-,25?/m0/s1.
What are the key properties of 1-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]propane-2-sulfinamide?
1-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]propane-2-sulfinamide has a molecular weight of 372.42 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]propane-2-sulfinamide is sourced from PubChem (CID 177296240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).