N-[[7-(1-fluorocyclopropanecarbonyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]methanesulfonamide

C12H17FN4O3S — CID 131689249

IUPACN-[[7-(1-fluorocyclopropanecarbonyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCc1cn2c(n1)CN(C(=O)C1(F)CC1)CC2
InChIInChI=1S/C12H17FN4O3S/c1-21(19,20)14-6-9-7-16-4-5-17(8-10(16)15-9)11(18)12(13)2-3-12/h7,14H,2-6,8H2,1H3
InChIKeyBVVZIFSGAWIMQF-UHFFFAOYSA-N
MW316.36 g/mol
LogP-0.22
Rot. Bonds4

About N-[[7-(1-fluorocyclopropanecarbonyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]methanesulfonamide

N-[[7-(1-fluorocyclopropanecarbonyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]methanesulfonamide (PubChem CID 131689249) has the molecular formula C12H17FN4O3S and a molecular weight of 316.36 g/mol. Its IUPAC name is N-[[7-(1-fluorocyclopropanecarbonyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[7-(1-fluorocyclopropanecarbonyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]methanesulfonamide
PubChem CID131689249
Molecular FormulaC12H17FN4O3S
Molecular Weight316.36 g/mol
Exact Mass316.10
IUPAC NameN-[[7-(1-fluorocyclopropanecarbonyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCc1cn2c(n1)CN(C(=O)C1(F)CC1)CC2
InChIInChI=1S/C12H17FN4O3S/c1-21(19,20)14-6-9-7-16-4-5-17(8-10(16)15-9)11(18)12(13)2-3-12/h7,14H,2-6,8H2,1H3
InChIKeyBVVZIFSGAWIMQF-UHFFFAOYSA-N
XLogP-0.22
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(methanesulfonamido)-N-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)acetamide
CID 72149646
2-[[(2-cyclopropylacetyl)amino]methyl]-N,N-dimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxamide
CID 97382117
N-[[7-(cyclopropylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methyl]cyclopropanecarboxamide
CID 97384477
N-({5H,6H,7H,8H-imidazo[1,2-a]pyridin-2-yl}methyl)methanesulfonamide
CID 86811547
(5S)-N-(3,3-difluorocyclobutyl)-7-methylsulfonyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide
CID 124229223
(5R)-N-(3,3-difluorocyclobutyl)-7-methylsulfonyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide
CID 124229224
N-(3,3-difluorocyclobutyl)-7-methylsulfonyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide
CID 131643429
N-[2-[7-(cyclopropylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]ethyl]methanesulfonamide;2,2,2-trifluoroacetic acid
CID 155844174
(1-aminocyclopropyl)-[3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone
CID 166261784
1,1,1-trifluoro-N-[3-(3-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-oxopropyl]methanesulfonamide
CID 167901659
N-cyclopentyl-2-(methanesulfonamidomethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxamide
CID 97390332
N-[[7-(2-cyclopropylacetyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]methanesulfonamide
CID 97467175

Frequently Asked Questions

What is the IUPAC name of N-[[7-(1-fluorocyclopropanecarbonyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[7-(1-fluorocyclopropanecarbonyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]methanesulfonamide (CID 131689249) is N-[[7-(1-fluorocyclopropanecarbonyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[7-(1-fluorocyclopropanecarbonyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[7-(1-fluorocyclopropanecarbonyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]methanesulfonamide is CS(=O)(=O)NCc1cn2c(n1)CN(C(=O)C1(F)CC1)CC2.
What is the InChIKey of N-[[7-(1-fluorocyclopropanecarbonyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]methanesulfonamide?
The InChIKey is BVVZIFSGAWIMQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN4O3S/c1-21(19,20)14-6-9-7-16-4-5-17(8-10(16)15-9)11(18)12(13)2-3-12/h7,14H,2-6,8H2,1H3.
What are the key properties of N-[[7-(1-fluorocyclopropanecarbonyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]methanesulfonamide?
N-[[7-(1-fluorocyclopropanecarbonyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]methanesulfonamide has a molecular weight of 316.36 g/mol, XLogP of -0.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[7-(1-fluorocyclopropanecarbonyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]methanesulfonamide is sourced from PubChem (CID 131689249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).