(2S)-N-pyrimidin-2-yl-2-[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]propanamide

C14H15F3N6O — CID 95621756

IUPAC(2S)-N-pyrimidin-2-yl-2-[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]propanamide
SMILESC[C@@H](C(=O)Nc1ncccn1)N1CCc2[nH]nc(C(F)(F)F)c2C1
InChIInChI=1S/C14H15F3N6O/c1-8(12(24)20-13-18-4-2-5-19-13)23-6-3-10-9(7-23)11(22-21-10)14(15,16)17/h2,4-5,8H,3,6-7H2,1H3,(H,21,22)(H,18,19,20,24)/t8-/m0/s1
InChIKeyGYLLDVQYSZAUHX-QMMMGPOBSA-N
MW340.31 g/mol
LogP1.60
Rot. Bonds3

About (2S)-N-pyrimidin-2-yl-2-[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]propanamide

(2S)-N-pyrimidin-2-yl-2-[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]propanamide (PubChem CID 95621756) has the molecular formula C14H15F3N6O and a molecular weight of 340.31 g/mol. Its IUPAC name is (2S)-N-pyrimidin-2-yl-2-[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]propanamide.

Molecular Properties

Compound Name(2S)-N-pyrimidin-2-yl-2-[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]propanamide
PubChem CID95621756
Molecular FormulaC14H15F3N6O
Molecular Weight340.31 g/mol
Exact Mass340.13
IUPAC Name(2S)-N-pyrimidin-2-yl-2-[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]propanamide
SMILESC[C@@H](C(=O)Nc1ncccn1)N1CCc2[nH]nc(C(F)(F)F)c2C1
InChIInChI=1S/C14H15F3N6O/c1-8(12(24)20-13-18-4-2-5-19-13)23-6-3-10-9(7-23)11(22-21-10)14(15,16)17/h2,4-5,8H,3,6-7H2,1H3,(H,21,22)(H,18,19,20,24)/t8-/m0/s1
InChIKeyGYLLDVQYSZAUHX-QMMMGPOBSA-N
XLogP1.60
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.31
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2S)-N-pyrimidin-2-yl-2-[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]propanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-N-pyrimidin-2-yl-2-[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]propanamide?
The IUPAC name of (2S)-N-pyrimidin-2-yl-2-[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]propanamide (CID 95621756) is (2S)-N-pyrimidin-2-yl-2-[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]propanamide.
What is the SMILES notation for (2S)-N-pyrimidin-2-yl-2-[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]propanamide?
The canonical SMILES for (2S)-N-pyrimidin-2-yl-2-[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]propanamide is C[C@@H](C(=O)Nc1ncccn1)N1CCc2[nH]nc(C(F)(F)F)c2C1.
What is the InChIKey of (2S)-N-pyrimidin-2-yl-2-[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]propanamide?
The InChIKey is GYLLDVQYSZAUHX-QMMMGPOBSA-N. The full InChI is InChI=1S/C14H15F3N6O/c1-8(12(24)20-13-18-4-2-5-19-13)23-6-3-10-9(7-23)11(22-21-10)14(15,16)17/h2,4-5,8H,3,6-7H2,1H3,(H,21,22)(H,18,19,20,24)/t8-/m0/s1.
What are the key properties of (2S)-N-pyrimidin-2-yl-2-[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]propanamide?
(2S)-N-pyrimidin-2-yl-2-[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]propanamide has a molecular weight of 340.31 g/mol, XLogP of 1.60, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-pyrimidin-2-yl-2-[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]propanamide is sourced from PubChem (CID 95621756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).