(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine;hydrochloride

C13H14ClF3N4 — CID 177296039

IUPAC(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine;hydrochloride
SMILESCl.N[C@H]1CCCn2nc(-c3ccnc(C(F)(F)F)c3)cc21
InChIInChI=1S/C13H13F3N4.ClH/c14-13(15,16)12-6-8(3-4-18-12)10-7-11-9(17)2-1-5-20(11)19-10;/h3-4,6-7,9H,1-2,5,17H2;1H/t9-;/m0./s1
InChIKeyASBWBVDWYCBIDH-FVGYRXGTSA-N
MW318.73 g/mol
LogP3.18
Rot. Bonds1

About (4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine;hydrochloride

(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine;hydrochloride (PubChem CID 177296039) has the molecular formula C13H14ClF3N4 and a molecular weight of 318.73 g/mol. Its IUPAC name is (4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine;hydrochloride.

Molecular Properties

Compound Name(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine;hydrochloride
PubChem CID177296039
Molecular FormulaC13H14ClF3N4
Molecular Weight318.73 g/mol
Exact Mass318.09
IUPAC Name(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine;hydrochloride
SMILESCl.N[C@H]1CCCn2nc(-c3ccnc(C(F)(F)F)c3)cc21
InChIInChI=1S/C13H13F3N4.ClH/c14-13(15,16)12-6-8(3-4-18-12)10-7-11-9(17)2-1-5-20(11)19-10;/h3-4,6-7,9H,1-2,5,17H2;1H/t9-;/m0./s1
InChIKeyASBWBVDWYCBIDH-FVGYRXGTSA-N
XLogP3.18
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.73
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine;hydrochloride 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

1-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]propane-2-sulfinamide
CID 177296240
(4S)-4-azido-2-[2-(trifluoromethyl)-4-pyridinyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole
CID 177051812
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
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
3-(trifluoromethyl)-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]benzamide
CID 177051267
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
4-fluoro-3-(trifluoromethoxy)-N-[2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]benzamide
CID 177050279
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
N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
CID 177051522
1,5-bis(trifluoromethyl)-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]pyrazole-4-carboxamide
CID 177050852
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

Frequently Asked Questions

What is the IUPAC name of (4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine;hydrochloride?
The IUPAC name of (4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine;hydrochloride (CID 177296039) is (4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine;hydrochloride.
What is the SMILES notation for (4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine;hydrochloride?
The canonical SMILES for (4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine;hydrochloride is Cl.N[C@H]1CCCn2nc(-c3ccnc(C(F)(F)F)c3)cc21.
What is the InChIKey of (4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine;hydrochloride?
The InChIKey is ASBWBVDWYCBIDH-FVGYRXGTSA-N. The full InChI is InChI=1S/C13H13F3N4.ClH/c14-13(15,16)12-6-8(3-4-18-12)10-7-11-9(17)2-1-5-20(11)19-10;/h3-4,6-7,9H,1-2,5,17H2;1H/t9-;/m0./s1.
What are the key properties of (4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine;hydrochloride?
(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine;hydrochloride has a molecular weight of 318.73 g/mol, XLogP of 3.18, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine;hydrochloride is sourced from PubChem (CID 177296039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).