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

C16H18F2N8O2S — CID 167201942

IUPAC6-(difluoromethyl)-3-[4-[3-(sulfamoylamino)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine
SMILESNS(=O)(=O)NC1CCCN(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)
InChIKeyVENDFDGKEBUHAD-UHFFFAOYSA-N
MW424.44 g/mol
LogP0.89
Rot. Bonds5

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

6-(difluoromethyl)-3-[4-[3-(sulfamoylamino)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine (PubChem CID 167201942) has the molecular formula C16H18F2N8O2S and a molecular weight of 424.44 g/mol. Its IUPAC name is 6-(difluoromethyl)-3-[4-[3-(sulfamoylamino)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name6-(difluoromethyl)-3-[4-[3-(sulfamoylamino)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine
PubChem CID167201942
Molecular FormulaC16H18F2N8O2S
Molecular Weight424.44 g/mol
Exact Mass424.12
IUPAC Name6-(difluoromethyl)-3-[4-[3-(sulfamoylamino)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine
SMILESNS(=O)(=O)NC1CCCN(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)
InChIKeyVENDFDGKEBUHAD-UHFFFAOYSA-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

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

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Related Compounds

(3S)-N-(diamino-hydroxy-oxo-λ6-sulfanyl)-1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-amine
CID 139343966
(3S)-1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-amine
CID 139343435
N-[1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]azepan-4-yl]methanesulfonamide
CID 139358686
1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide
CID 139357749
(3S)-1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide
CID 139358253
6-(difluoromethyl)-3-[4-(3-methylazepan-1-yl)pyrimidin-2-yl]imidazo[1,2-a]pyrazine
CID 153331406
6-(difluoromethyl)-3-(4-piperidin-1-ylpyrimidin-2-yl)imidazo[1,2-a]pyrazine;thiohydroxylamine
CID 153331154
2-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-3,4,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-6-one
CID 139357990
1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]azepan-4-amine;2,2,2-trifluoroacetic acid
CID 139343986
6-(difluoromethyl)-3-[4-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine
CID 139357711
N-[[(2S)-4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide
CID 139359425
7-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 139357998

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-3-[4-[3-(sulfamoylamino)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine?
The IUPAC name of 6-(difluoromethyl)-3-[4-[3-(sulfamoylamino)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine (CID 167201942) is 6-(difluoromethyl)-3-[4-[3-(sulfamoylamino)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine.
What is the SMILES notation for 6-(difluoromethyl)-3-[4-[3-(sulfamoylamino)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine?
The canonical SMILES for 6-(difluoromethyl)-3-[4-[3-(sulfamoylamino)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine is NS(=O)(=O)NC1CCCN(c2ccnc(-c3cnc4cnc(C(F)F)cn34)n2)C1.
What is the InChIKey of 6-(difluoromethyl)-3-[4-[3-(sulfamoylamino)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine?
The InChIKey is VENDFDGKEBUHAD-UHFFFAOYSA-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).
What are the key properties of 6-(difluoromethyl)-3-[4-[3-(sulfamoylamino)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine?
6-(difluoromethyl)-3-[4-[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-[3-(sulfamoylamino)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine is sourced from PubChem (CID 167201942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).