N-[[(2S)-4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide

C17H19F2N7O3S — CID 139359425

IUPACN-[[(2S)-4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NC[C@@H]1CN(c2ccnc(-c3cnc4cnc(C(F)F)cn34)n2)CCO1
InChIInChI=1S/C17H19F2N7O3S/c1-30(27,28)23-6-11-9-25(4-5-29-11)14-2-3-20-17(24-14)13-7-22-15-8-21-12(16(18)19)10-26(13)15/h2-3,7-8,10-11,16,23H,4-6,9H2,1H3/t11-/m1/s1
InChIKeyFQMATXHOVVJPPR-LLVKDONJSA-N
MW439.45 g/mol
LogP0.88
Rot. Bonds6

About N-[[(2S)-4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide

N-[[(2S)-4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide (PubChem CID 139359425) has the molecular formula C17H19F2N7O3S and a molecular weight of 439.45 g/mol. Its IUPAC name is N-[[(2S)-4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[(2S)-4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide
PubChem CID139359425
Molecular FormulaC17H19F2N7O3S
Molecular Weight439.45 g/mol
Exact Mass439.12
IUPAC NameN-[[(2S)-4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NC[C@@H]1CN(c2ccnc(-c3cnc4cnc(C(F)F)cn34)n2)CCO1
InChIInChI=1S/C17H19F2N7O3S/c1-30(27,28)23-6-11-9-25(4-5-29-11)14-2-3-20-17(24-14)13-7-22-15-8-21-12(16(18)19)10-26(13)15/h2-3,7-8,10-11,16,23H,4-6,9H2,1H3/t11-/m1/s1
InChIKeyFQMATXHOVVJPPR-LLVKDONJSA-N
XLogP0.88
TPSA114.61 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.45
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-[1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]azepan-4-yl]methanesulfonamide
CID 139358686
6-(difluoromethyl)-3-[4-[3-(sulfamoylamino)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine
CID 167201942
6-(difluoromethyl)-3-[4-[2-(2-methylsulfonylethyl)-1,4-diazabicyclo[4.1.0]heptan-4-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine
CID 139359686
6-(difluoromethyl)-3-[4-(3-methylazepan-1-yl)pyrimidin-2-yl]imidazo[1,2-a]pyrazine
CID 153331406
N-[[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide
CID 153418464
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
(3S)-1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-amine
CID 139343435
(3S)-1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide
CID 139358253
1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide
CID 139357749
6-(difluoromethyl)-3-(4-piperidin-1-ylpyrimidin-2-yl)imidazo[1,2-a]pyrazine;thiohydroxylamine
CID 153331154
(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
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

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[(2S)-4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide (CID 139359425) is N-[[(2S)-4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[(2S)-4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[(2S)-4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide is CS(=O)(=O)NC[C@@H]1CN(c2ccnc(-c3cnc4cnc(C(F)F)cn34)n2)CCO1.
What is the InChIKey of N-[[(2S)-4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide?
The InChIKey is FQMATXHOVVJPPR-LLVKDONJSA-N. The full InChI is InChI=1S/C17H19F2N7O3S/c1-30(27,28)23-6-11-9-25(4-5-29-11)14-2-3-20-17(24-14)13-7-22-15-8-21-12(16(18)19)10-26(13)15/h2-3,7-8,10-11,16,23H,4-6,9H2,1H3/t11-/m1/s1.
What are the key properties of N-[[(2S)-4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide?
N-[[(2S)-4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide has a molecular weight of 439.45 g/mol, XLogP of 0.88, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide is sourced from PubChem (CID 139359425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).