(2S)-1-[[7-methyl-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methoxy]propan-2-amine

C16H21F3N6O — CID 166132383

IUPAC(2S)-1-[[7-methyl-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methoxy]propan-2-amine
SMILESCC1CN(c2ncc(C(F)(F)F)cn2)Cc2cc(COC[C@H](C)N)nn21
InChIInChI=1S/C16H21F3N6O/c1-10(20)8-26-9-13-3-14-7-24(6-11(2)25(14)23-13)15-21-4-12(5-22-15)16(17,18)19/h3-5,10-11H,6-9,20H2,1-2H3/t10-,11?/m0/s1
InChIKeyBXGRTPMPPCHFIO-VUWPPUDQSA-N
MW370.38 g/mol
LogP2.14
Rot. Bonds5

About (2S)-1-[[7-methyl-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methoxy]propan-2-amine

(2S)-1-[[7-methyl-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methoxy]propan-2-amine (PubChem CID 166132383) has the molecular formula C16H21F3N6O and a molecular weight of 370.38 g/mol. Its IUPAC name is (2S)-1-[[7-methyl-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methoxy]propan-2-amine.

Molecular Properties

Compound Name(2S)-1-[[7-methyl-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methoxy]propan-2-amine
PubChem CID166132383
Molecular FormulaC16H21F3N6O
Molecular Weight370.38 g/mol
Exact Mass370.17
IUPAC Name(2S)-1-[[7-methyl-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methoxy]propan-2-amine
SMILESCC1CN(c2ncc(C(F)(F)F)cn2)Cc2cc(COC[C@H](C)N)nn21
InChIInChI=1S/C16H21F3N6O/c1-10(20)8-26-9-13-3-14-7-24(6-11(2)25(14)23-13)15-21-4-12(5-22-15)16(17,18)19/h3-5,10-11H,6-9,20H2,1-2H3/t10-,11?/m0/s1
InChIKeyBXGRTPMPPCHFIO-VUWPPUDQSA-N
XLogP2.14
TPSA82.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.38
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (2S)-1-[[7-methyl-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methoxy]propan-2-amine 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

4-N-methyl-2-N-(4-methyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 72201342
2-N-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 72201343
2-N-[(6S)-4,6-dimethyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 76310861
4-N-methyl-5-(trifluoromethyl)-2-N-(4,7,7-trimethyl-4,6-dihydropyrazolo[5,1-c][1,4]oxazin-3-yl)pyrimidine-2,4-diamine
CID 72201340
4-N-ethyl-2-N-(4-methyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 72201341
2-N-(4,6-dimethyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 72201488
2-N-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 72201635
(S)-4-(trifluoromethyl)-5-((1-((5-(5-(5-(trifluoromethyl)pyrimidin-2-yl)-4,5,6,7-tetrahydro pyrazolo[1,5-a]pyrazin-2-yl)methoxy)propan-2-yl)amino)pyridazin-3(2H)-one
CID 171918908
4-(trifluoromethyl)-5-[[(2S)-1-[(1S)-1-[5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethoxy]propan-2-yl]amino]diazinan-3-one
CID 171918909
4-(trifluoromethyl)-5-[[(2S)-1-[(1R)-1-[5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethoxy]propan-2-yl]amino]diazinan-3-one
CID 171918910
1-(5-Ethyl-2-methylpyrimidin-4-YL)-N-{[5-(methoxymethyl)-1H-pyrazol-3-YL]methyl}piperidin-4-amine
CID 72915073
N-{[5-(Methoxymethyl)-1H-pyrazol-3-YL]methyl}-2-(trifluoromethyl)pyrimidin-4-amine
CID 72937346

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[[7-methyl-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methoxy]propan-2-amine?
The IUPAC name of (2S)-1-[[7-methyl-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methoxy]propan-2-amine (CID 166132383) is (2S)-1-[[7-methyl-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methoxy]propan-2-amine.
What is the SMILES notation for (2S)-1-[[7-methyl-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methoxy]propan-2-amine?
The canonical SMILES for (2S)-1-[[7-methyl-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methoxy]propan-2-amine is CC1CN(c2ncc(C(F)(F)F)cn2)Cc2cc(COC[C@H](C)N)nn21.
What is the InChIKey of (2S)-1-[[7-methyl-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methoxy]propan-2-amine?
The InChIKey is BXGRTPMPPCHFIO-VUWPPUDQSA-N. The full InChI is InChI=1S/C16H21F3N6O/c1-10(20)8-26-9-13-3-14-7-24(6-11(2)25(14)23-13)15-21-4-12(5-22-15)16(17,18)19/h3-5,10-11H,6-9,20H2,1-2H3/t10-,11?/m0/s1.
What are the key properties of (2S)-1-[[7-methyl-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methoxy]propan-2-amine?
(2S)-1-[[7-methyl-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methoxy]propan-2-amine has a molecular weight of 370.38 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[[7-methyl-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methoxy]propan-2-amine is sourced from PubChem (CID 166132383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).