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

C16H18F2N8O2S — CID 139343889

IUPAC6-(difluoromethyl)-3-[4-[(3S)-3-(sulfamoylamino)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine
SMILESNS(=O)(=O)N[C@H]1CCCN(c2ccnc(-c3cnc4cnc(C(F)F)cn34)n2)C1
InChIInChI=1S/C16H18F2N8O2S/c17-15(18)11-9-26-12(6-22-14(26)7-21-11)16-20-4-3-13(23-16)25-5-1-2-10(8-25)24-29(19,27)28/h3-4,6-7,9-10,15,24H,1-2,5,8H2,(H2,19,27,28)/t10-/m0/s1
InChIKeyVENDFDGKEBUHAD-JTQLQIEISA-N
MW424.44 g/mol
LogP0.89
Rot. Bonds5

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

6-(difluoromethyl)-3-[4-[(3S)-3-(sulfamoylamino)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine (PubChem CID 139343889) has the molecular formula C16H18F2N8O2S and a molecular weight of 424.44 g/mol. Its IUPAC name is 6-(difluoromethyl)-3-[4-[(3S)-3-(sulfamoylamino)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name6-(difluoromethyl)-3-[4-[(3S)-3-(sulfamoylamino)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine
PubChem CID139343889
Molecular FormulaC16H18F2N8O2S
Molecular Weight424.44 g/mol
Exact Mass424.12
IUPAC Name6-(difluoromethyl)-3-[4-[(3S)-3-(sulfamoylamino)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine
SMILESNS(=O)(=O)N[C@H]1CCCN(c2ccnc(-c3cnc4cnc(C(F)F)cn34)n2)C1
InChIInChI=1S/C16H18F2N8O2S/c17-15(18)11-9-26-12(6-22-14(26)7-21-11)16-20-4-3-13(23-16)25-5-1-2-10(8-25)24-29(19,27)28/h3-4,6-7,9-10,15,24H,1-2,5,8H2,(H2,19,27,28)/t10-/m0/s1
InChIKeyVENDFDGKEBUHAD-JTQLQIEISA-N
XLogP0.89
TPSA131.40 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.44
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-2-(trifluoromethyl)-7H-purin-6-amine
CID 119041152
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
N-cyclopropyl-9-(2-piperazin-1-ylpyrimidin-4-yl)-2-(trifluoromethyl)purin-6-amine
CID 10386552
6-(4,4-difluoropiperidin-1-yl)-2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-4-N-(1-methylimidazol-4-yl)-1,3,5-triazine-2,4-diamine
CID 67300326
3-[4-(2,7-Diazaspiro[3.5]nonan-7-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine
CID 139343289
(3S)-1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-amine
CID 139343435
1-[2-[6-(Difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-amine
CID 139343437
N-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]azepan-4-yl]methanesulfonamide
CID 139343553
3-[4-(2,7-Diazaspiro[3.5]nonan-2-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine
CID 139343587
N-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]formamide
CID 139343611
3-[4-(7-Methylsulfonyl-2,7-diazaspiro[3.5]nonan-2-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine
CID 139343656

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-3-[4-[(3S)-3-(sulfamoylamino)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine?
The IUPAC name of 6-(difluoromethyl)-3-[4-[(3S)-3-(sulfamoylamino)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine (CID 139343889) is 6-(difluoromethyl)-3-[4-[(3S)-3-(sulfamoylamino)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine.
What is the SMILES notation for 6-(difluoromethyl)-3-[4-[(3S)-3-(sulfamoylamino)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine?
The canonical SMILES for 6-(difluoromethyl)-3-[4-[(3S)-3-(sulfamoylamino)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine is NS(=O)(=O)N[C@H]1CCCN(c2ccnc(-c3cnc4cnc(C(F)F)cn34)n2)C1.
What is the InChIKey of 6-(difluoromethyl)-3-[4-[(3S)-3-(sulfamoylamino)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine?
The InChIKey is VENDFDGKEBUHAD-JTQLQIEISA-N. The full InChI is InChI=1S/C16H18F2N8O2S/c17-15(18)11-9-26-12(6-22-14(26)7-21-11)16-20-4-3-13(23-16)25-5-1-2-10(8-25)24-29(19,27)28/h3-4,6-7,9-10,15,24H,1-2,5,8H2,(H2,19,27,28)/t10-/m0/s1.
What are the key properties of 6-(difluoromethyl)-3-[4-[(3S)-3-(sulfamoylamino)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine?
6-(difluoromethyl)-3-[4-[(3S)-3-(sulfamoylamino)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine has a molecular weight of 424.44 g/mol, XLogP of 0.89, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-3-[4-[(3S)-3-(sulfamoylamino)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine is sourced from PubChem (CID 139343889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).