1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-N-methylpyrrolidine-3-sulfonamide

C16H17F2N7O2S — CID 139357713

IUPAC1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-N-methylpyrrolidine-3-sulfonamide
SMILESCNS(=O)(=O)C1CCN(c2ccnc(-c3cnc4cnc(C(F)F)cn34)n2)C1
InChIInChI=1S/C16H17F2N7O2S/c1-19-28(26,27)10-3-5-24(8-10)13-2-4-20-16(23-13)12-6-22-14-7-21-11(15(17)18)9-25(12)14/h2,4,6-7,9-10,15,19H,3,5,8H2,1H3
InChIKeySHHNSDJPPNBPFQ-UHFFFAOYSA-N
MW409.42 g/mol
LogP1.25
Rot. Bonds5

About 1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-N-methylpyrrolidine-3-sulfonamide

1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-N-methylpyrrolidine-3-sulfonamide (PubChem CID 139357713) has the molecular formula C16H17F2N7O2S and a molecular weight of 409.42 g/mol. Its IUPAC name is 1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-N-methylpyrrolidine-3-sulfonamide.

Molecular Properties

Compound Name1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-N-methylpyrrolidine-3-sulfonamide
PubChem CID139357713
Molecular FormulaC16H17F2N7O2S
Molecular Weight409.42 g/mol
Exact Mass409.11
IUPAC Name1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-N-methylpyrrolidine-3-sulfonamide
SMILESCNS(=O)(=O)C1CCN(c2ccnc(-c3cnc4cnc(C(F)F)cn34)n2)C1
InChIInChI=1S/C16H17F2N7O2S/c1-19-28(26,27)10-3-5-24(8-10)13-2-4-20-16(23-13)12-6-22-14-7-21-11(15(17)18)9-25(12)14/h2,4,6-7,9-10,15,19H,3,5,8H2,1H3
InChIKeySHHNSDJPPNBPFQ-UHFFFAOYSA-N
XLogP1.25
TPSA105.38 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.42
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

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-methyl-9-(2-methylsulfonylpyrimidin-4-yl)-2-(trifluoromethyl)purin-6-amine
CID 10361970
3,3,3-trifluoro-N-[1-(1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)piperidin-3-yl]propane-1-sulfonamide
CID 58557773
N-cyclopropyl-9-[2-(methylamino)pyrimidin-4-yl]-2-(trifluoromethyl)purin-6-amine;methanesulfonic acid
CID 87483143
methanesulfonic acid;N-methyl-9-[2-(methylamino)pyrimidin-4-yl]-2-(trifluoromethyl)purin-6-amine
CID 87483430
3,3,3-trifluoro-N-[6-(1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)piperidin-3-yl]propane-1-sulfonamide
CID 123186915
N-propyl-N-[1-(3,3,3-trifluoropropylsulfonyl)piperidin-3-yl]-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-amine
CID 129130809
3-[4-[3-(Methylsulfonylmethyl)pyrrolidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine
CID 139343452
N-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]azepan-4-yl]methanesulfonamide
CID 139343553
3-[4-(7-Methylsulfonyl-2,7-diazaspiro[3.5]nonan-2-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine
CID 139343656
3-[4-[3-(Methylsulfinylmethyl)pyrrolidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine
CID 139343685
3-[4-[3-(Methylsulfanylmethyl)pyrrolidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine
CID 139343812

Frequently Asked Questions

What is the IUPAC name of 1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-N-methylpyrrolidine-3-sulfonamide?
The IUPAC name of 1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-N-methylpyrrolidine-3-sulfonamide (CID 139357713) is 1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-N-methylpyrrolidine-3-sulfonamide.
What is the SMILES notation for 1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-N-methylpyrrolidine-3-sulfonamide?
The canonical SMILES for 1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-N-methylpyrrolidine-3-sulfonamide is CNS(=O)(=O)C1CCN(c2ccnc(-c3cnc4cnc(C(F)F)cn34)n2)C1.
What is the InChIKey of 1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-N-methylpyrrolidine-3-sulfonamide?
The InChIKey is SHHNSDJPPNBPFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N7O2S/c1-19-28(26,27)10-3-5-24(8-10)13-2-4-20-16(23-13)12-6-22-14-7-21-11(15(17)18)9-25(12)14/h2,4,6-7,9-10,15,19H,3,5,8H2,1H3.
What are the key properties of 1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-N-methylpyrrolidine-3-sulfonamide?
1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-N-methylpyrrolidine-3-sulfonamide has a molecular weight of 409.42 g/mol, XLogP of 1.25, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-N-methylpyrrolidine-3-sulfonamide is sourced from PubChem (CID 139357713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).