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

C17H18F2N6 — CID 139357762

IUPAC6-(difluoromethyl)-3-[4-(3-methylpiperidin-1-yl)pyrimidin-2-yl]imidazo[1,2-a]pyrazine
SMILESCC1CCCN(c2ccnc(-c3cnc4cnc(C(F)F)cn34)n2)C1
InChIInChI=1S/C17H18F2N6/c1-11-3-2-6-24(9-11)14-4-5-20-17(23-14)13-7-22-15-8-21-12(16(18)19)10-25(13)15/h4-5,7-8,10-11,16H,2-3,6,9H2,1H3
InChIKeyVPTCFGBDXJXROD-UHFFFAOYSA-N
MW344.37 g/mol
LogP3.36
Rot. Bonds3

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

6-(difluoromethyl)-3-[4-(3-methylpiperidin-1-yl)pyrimidin-2-yl]imidazo[1,2-a]pyrazine (PubChem CID 139357762) has the molecular formula C17H18F2N6 and a molecular weight of 344.37 g/mol. Its IUPAC name is 6-(difluoromethyl)-3-[4-(3-methylpiperidin-1-yl)pyrimidin-2-yl]imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name6-(difluoromethyl)-3-[4-(3-methylpiperidin-1-yl)pyrimidin-2-yl]imidazo[1,2-a]pyrazine
PubChem CID139357762
Molecular FormulaC17H18F2N6
Molecular Weight344.37 g/mol
Exact Mass344.16
IUPAC Name6-(difluoromethyl)-3-[4-(3-methylpiperidin-1-yl)pyrimidin-2-yl]imidazo[1,2-a]pyrazine
SMILESCC1CCCN(c2ccnc(-c3cnc4cnc(C(F)F)cn34)n2)C1
InChIInChI=1S/C17H18F2N6/c1-11-3-2-6-24(9-11)14-4-5-20-17(23-14)13-7-22-15-8-21-12(16(18)19)10-25(13)15/h4-5,7-8,10-11,16H,2-3,6,9H2,1H3
InChIKeyVPTCFGBDXJXROD-UHFFFAOYSA-N
XLogP3.36
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 ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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
2-Imidazol-1-yl-6-(1-pyrimidin-2-ylpiperidin-3-yl)pyrazine
CID 110253585
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
7-(4-Fluoropiperidin-1-yl)-2-pyrazin-2-ylimidazo[1,2-a]pyrimidine
CID 118975938
1-[2-[6-(Difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-5-methylpiperidine-3-carboxamide
CID 139343257
3-[4-(2,7-Diazaspiro[3.5]nonan-7-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine
CID 139343289
Methyl 1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-5-methylpiperidine-3-carboxylate
CID 139343358

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-3-[4-(3-methylpiperidin-1-yl)pyrimidin-2-yl]imidazo[1,2-a]pyrazine?
The IUPAC name of 6-(difluoromethyl)-3-[4-(3-methylpiperidin-1-yl)pyrimidin-2-yl]imidazo[1,2-a]pyrazine (CID 139357762) is 6-(difluoromethyl)-3-[4-(3-methylpiperidin-1-yl)pyrimidin-2-yl]imidazo[1,2-a]pyrazine.
What is the SMILES notation for 6-(difluoromethyl)-3-[4-(3-methylpiperidin-1-yl)pyrimidin-2-yl]imidazo[1,2-a]pyrazine?
The canonical SMILES for 6-(difluoromethyl)-3-[4-(3-methylpiperidin-1-yl)pyrimidin-2-yl]imidazo[1,2-a]pyrazine is CC1CCCN(c2ccnc(-c3cnc4cnc(C(F)F)cn34)n2)C1.
What is the InChIKey of 6-(difluoromethyl)-3-[4-(3-methylpiperidin-1-yl)pyrimidin-2-yl]imidazo[1,2-a]pyrazine?
The InChIKey is VPTCFGBDXJXROD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N6/c1-11-3-2-6-24(9-11)14-4-5-20-17(23-14)13-7-22-15-8-21-12(16(18)19)10-25(13)15/h4-5,7-8,10-11,16H,2-3,6,9H2,1H3.
What are the key properties of 6-(difluoromethyl)-3-[4-(3-methylpiperidin-1-yl)pyrimidin-2-yl]imidazo[1,2-a]pyrazine?
6-(difluoromethyl)-3-[4-(3-methylpiperidin-1-yl)pyrimidin-2-yl]imidazo[1,2-a]pyrazine has a molecular weight of 344.37 g/mol, XLogP of 3.36, 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-(3-methylpiperidin-1-yl)pyrimidin-2-yl]imidazo[1,2-a]pyrazine is sourced from PubChem (CID 139357762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).