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

C17H18F2N6 — CID 139358224

IUPAC6-(difluoromethyl)-3-[4-[(2S)-2-methylpiperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine
SMILESC[C@H]1CCCCN1c1ccnc(-c2cnc3cnc(C(F)F)cn23)n1
InChIInChI=1S/C17H18F2N6/c1-11-4-2-3-7-24(11)14-5-6-20-17(23-14)13-8-22-15-9-21-12(16(18)19)10-25(13)15/h5-6,8-11,16H,2-4,7H2,1H3/t11-/m0/s1
InChIKeySPKLFIQDWLFXGF-NSHDSACASA-N
MW344.37 g/mol
LogP3.50
Rot. Bonds3

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

6-(difluoromethyl)-3-[4-[(2S)-2-methylpiperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine (PubChem CID 139358224) has the molecular formula C17H18F2N6 and a molecular weight of 344.37 g/mol. Its IUPAC name is 6-(difluoromethyl)-3-[4-[(2S)-2-methylpiperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name6-(difluoromethyl)-3-[4-[(2S)-2-methylpiperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine
PubChem CID139358224
Molecular FormulaC17H18F2N6
Molecular Weight344.37 g/mol
Exact Mass344.16
IUPAC Name6-(difluoromethyl)-3-[4-[(2S)-2-methylpiperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine
SMILESC[C@H]1CCCCN1c1ccnc(-c2cnc3cnc(C(F)F)cn23)n1
InChIInChI=1S/C17H18F2N6/c1-11-4-2-3-7-24(11)14-5-6-20-17(23-14)13-8-22-15-9-21-12(16(18)19)10-25(13)15/h5-6,8-11,16H,2-4,7H2,1H3/t11-/m0/s1
InChIKeySPKLFIQDWLFXGF-NSHDSACASA-N
XLogP3.50
TPSA59.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-(difluoromethyl)-3-[4-[(2S)-2-methylpiperidin-1-yl]pyrimidin-2-yl]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
2-[(4-Methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyrimidine
CID 3968007
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
Pyrimido[2,1-f]purine
CID 70443161
3-[[(2R)-4-methyl-2-propan-2-ylpiperazin-1-yl]methyl]imidazo[1,2-a]pyrimidine
CID 97880678
4-[(2S,4S)-4-fluoro-2-[(imidazo[1,2-a]pyrazin-3-ylmethylamino)methyl]pyrrolidin-1-yl]-N,N-dimethylpyrimidin-2-amine
CID 129001893
N,5-dimethyl-N-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]pyrimidin-4-amine
CID 164642198
(3S)-N-(imidazo[1,2-a]pyrazin-3-ylmethyl)-1-pyrimidin-4-ylpiperidin-3-amine
CID 171359505
9-[2-(dimethylamino)pyrimidin-4-yl]-N,N-dimethyl-2-(trifluoromethyl)purin-6-amine
CID 10360637

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-3-[4-[(2S)-2-methylpiperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine?
The IUPAC name of 6-(difluoromethyl)-3-[4-[(2S)-2-methylpiperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine (CID 139358224) is 6-(difluoromethyl)-3-[4-[(2S)-2-methylpiperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine.
What is the SMILES notation for 6-(difluoromethyl)-3-[4-[(2S)-2-methylpiperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine?
The canonical SMILES for 6-(difluoromethyl)-3-[4-[(2S)-2-methylpiperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine is C[C@H]1CCCCN1c1ccnc(-c2cnc3cnc(C(F)F)cn23)n1.
What is the InChIKey of 6-(difluoromethyl)-3-[4-[(2S)-2-methylpiperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine?
The InChIKey is SPKLFIQDWLFXGF-NSHDSACASA-N. The full InChI is InChI=1S/C17H18F2N6/c1-11-4-2-3-7-24(11)14-5-6-20-17(23-14)13-8-22-15-9-21-12(16(18)19)10-25(13)15/h5-6,8-11,16H,2-4,7H2,1H3/t11-/m0/s1.
What are the key properties of 6-(difluoromethyl)-3-[4-[(2S)-2-methylpiperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine?
6-(difluoromethyl)-3-[4-[(2S)-2-methylpiperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine has a molecular weight of 344.37 g/mol, XLogP of 3.50, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-3-[4-[(2S)-2-methylpiperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine is sourced from PubChem (CID 139358224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).