3-[4-[(2S)-2-methylpiperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine

C17H17F3N6 — CID 139358096

IUPAC3-[4-[(2S)-2-methylpiperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine
SMILESC[C@H]1CCCCN1c1ccnc(-c2cnc3cnc(C(F)(F)F)cn23)n1
InChIInChI=1S/C17H17F3N6/c1-11-4-2-3-7-25(11)14-5-6-21-16(24-14)12-8-23-15-9-22-13(10-26(12)15)17(18,19)20/h5-6,8-11H,2-4,7H2,1H3/t11-/m0/s1
InChIKeyPXJPUZDKHLHDDZ-NSHDSACASA-N
MW362.36 g/mol
LogP3.58
Rot. Bonds2

About 3-[4-[(2S)-2-methylpiperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine

3-[4-[(2S)-2-methylpiperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine (PubChem CID 139358096) has the molecular formula C17H17F3N6 and a molecular weight of 362.36 g/mol. Its IUPAC name is 3-[4-[(2S)-2-methylpiperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name3-[4-[(2S)-2-methylpiperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine
PubChem CID139358096
Molecular FormulaC17H17F3N6
Molecular Weight362.36 g/mol
Exact Mass362.15
IUPAC Name3-[4-[(2S)-2-methylpiperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine
SMILESC[C@H]1CCCCN1c1ccnc(-c2cnc3cnc(C(F)(F)F)cn23)n1
InChIInChI=1S/C17H17F3N6/c1-11-4-2-3-7-25(11)14-5-6-21-16(24-14)12-8-23-15-9-22-13(10-26(12)15)17(18,19)20/h5-6,8-11H,2-4,7H2,1H3/t11-/m0/s1
InChIKeyPXJPUZDKHLHDDZ-NSHDSACASA-N
XLogP3.58
TPSA59.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.36
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[4-[(2S)-2-methylpiperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine with MolForge

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Related Compounds

N-ethyl-N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)cyclohexanamine
CID 3917550
8-(4-Pyrimidin-2-ylpiperazin-1-yl)imidazo[1,2-a]pyrazine
CID 44415514
9H-Purine, 9-methyl-2-(4-(2-pyrimidinyl)-1-piperazinyl)-
CID 212786
Purine, 9-methyl-2-piperidino-
CID 20781954
Purine, 9-methyl-8-piperidino-
CID 171383960
4-[(2S,4S)-4-fluoro-2-[(imidazo[1,2-a]pyrazin-3-ylmethylamino)methyl]pyrrolidin-1-yl]-N,N-dimethylpyrimidin-2-amine
CID 129001893
(3S)-N-(imidazo[1,2-a]pyrazin-3-ylmethyl)-1-pyrimidin-4-ylpiperidin-3-amine
CID 171359505
9-[2-(ethylamino)pyrimidin-4-yl]-N-methyl-2-(trifluoromethyl)purin-6-amine
CID 10042739
N-cyclopropyl-9-(2-methylpyrimidin-4-yl)-2-(trifluoromethyl)purin-6-amine
CID 10359568
9-[2-(dimethylamino)pyrimidin-4-yl]-N,N-dimethyl-2-(trifluoromethyl)purin-6-amine
CID 10360637
N-cyclopropyl-9-(2-piperazin-1-ylpyrimidin-4-yl)-2-(trifluoromethyl)purin-6-amine
CID 10386552
N-methyl-9-[2-(methylamino)pyrimidin-4-yl]-2-(trifluoromethyl)purin-6-amine
CID 10403961

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(2S)-2-methylpiperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine?
The IUPAC name of 3-[4-[(2S)-2-methylpiperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine (CID 139358096) is 3-[4-[(2S)-2-methylpiperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine.
What is the SMILES notation for 3-[4-[(2S)-2-methylpiperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine?
The canonical SMILES for 3-[4-[(2S)-2-methylpiperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine is C[C@H]1CCCCN1c1ccnc(-c2cnc3cnc(C(F)(F)F)cn23)n1.
What is the InChIKey of 3-[4-[(2S)-2-methylpiperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine?
The InChIKey is PXJPUZDKHLHDDZ-NSHDSACASA-N. The full InChI is InChI=1S/C17H17F3N6/c1-11-4-2-3-7-25(11)14-5-6-21-16(24-14)12-8-23-15-9-22-13(10-26(12)15)17(18,19)20/h5-6,8-11H,2-4,7H2,1H3/t11-/m0/s1.
What are the key properties of 3-[4-[(2S)-2-methylpiperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine?
3-[4-[(2S)-2-methylpiperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine has a molecular weight of 362.36 g/mol, XLogP of 3.58, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(2S)-2-methylpiperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine is sourced from PubChem (CID 139358096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).