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

C18H21F2N7O2S — CID 139358686

IUPACN-[1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]azepan-4-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCCN(c2ccnc(-c3cnc4cnc(C(F)F)cn34)n2)CC1
InChIInChI=1S/C18H21F2N7O2S/c1-30(28,29)25-12-3-2-7-26(8-5-12)15-4-6-21-18(24-15)14-9-23-16-10-22-13(17(19)20)11-27(14)16/h4,6,9-12,17,25H,2-3,5,7-8H2,1H3
InChIKeySACAWKHMMJPOSV-UHFFFAOYSA-N
MW437.48 g/mol
LogP2.03
Rot. Bonds5

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

N-[1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]azepan-4-yl]methanesulfonamide (PubChem CID 139358686) has the molecular formula C18H21F2N7O2S and a molecular weight of 437.48 g/mol. Its IUPAC name is N-[1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]azepan-4-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]azepan-4-yl]methanesulfonamide
PubChem CID139358686
Molecular FormulaC18H21F2N7O2S
Molecular Weight437.48 g/mol
Exact Mass437.14
IUPAC NameN-[1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]azepan-4-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCCN(c2ccnc(-c3cnc4cnc(C(F)F)cn34)n2)CC1
InChIInChI=1S/C18H21F2N7O2S/c1-30(28,29)25-12-3-2-7-26(8-5-12)15-4-6-21-18(24-15)14-9-23-16-10-22-13(17(19)20)11-27(14)16/h4,6,9-12,17,25H,2-3,5,7-8H2,1H3
InChIKeySACAWKHMMJPOSV-UHFFFAOYSA-N
XLogP2.03
TPSA105.38 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.48
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

6-(difluoromethyl)-3-[4-[3-(sulfamoylamino)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine
CID 167201942
6-(difluoromethyl)-3-(4-piperidin-1-ylpyrimidin-2-yl)imidazo[1,2-a]pyrazine;thiohydroxylamine
CID 153331154
(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]azepan-4-amine;2,2,2-trifluoroacetic acid
CID 139343986
(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
6-(difluoromethyl)-3-[4-(3-methylazepan-1-yl)pyrimidin-2-yl]imidazo[1,2-a]pyrazine
CID 153331406
(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
N-[[(2S)-4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide
CID 139359425
6-(difluoromethyl)-3-[4-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine
CID 139357711
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
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-[1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]azepan-4-yl]methanesulfonamide?
The IUPAC name of N-[1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]azepan-4-yl]methanesulfonamide (CID 139358686) is N-[1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]azepan-4-yl]methanesulfonamide.
What is the SMILES notation for N-[1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]azepan-4-yl]methanesulfonamide?
The canonical SMILES for N-[1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]azepan-4-yl]methanesulfonamide is CS(=O)(=O)NC1CCCN(c2ccnc(-c3cnc4cnc(C(F)F)cn34)n2)CC1.
What is the InChIKey of N-[1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]azepan-4-yl]methanesulfonamide?
The InChIKey is SACAWKHMMJPOSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F2N7O2S/c1-30(28,29)25-12-3-2-7-26(8-5-12)15-4-6-21-18(24-15)14-9-23-16-10-22-13(17(19)20)11-27(14)16/h4,6,9-12,17,25H,2-3,5,7-8H2,1H3.
What are the key properties of N-[1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]azepan-4-yl]methanesulfonamide?
N-[1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]azepan-4-yl]methanesulfonamide has a molecular weight of 437.48 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]azepan-4-yl]methanesulfonamide is sourced from PubChem (CID 139358686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).