N-tert-butyl-2-[1-(2,2-difluoroethyl)imidazol-4-yl]sulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxamide

C15H20F2N6O3S — CID 164931979

IUPACN-tert-butyl-2-[1-(2,2-difluoroethyl)imidazol-4-yl]sulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxamide
SMILESCC(C)(C)NC(=O)N1Cc2cn(S(=O)(=O)c3cn(CC(F)F)cn3)nc2C1
InChIInChI=1S/C15H20F2N6O3S/c1-15(2,3)19-14(24)22-4-10-5-23(20-11(10)6-22)27(25,26)13-8-21(9-18-13)7-12(16)17/h5,8-9,12H,4,6-7H2,1-3H3,(H,19,24)
InChIKeyAGGJEOHVEXIYDW-UHFFFAOYSA-N
MW402.43 g/mol
LogP1.41
Rot. Bonds4

About N-tert-butyl-2-[1-(2,2-difluoroethyl)imidazol-4-yl]sulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxamide

N-tert-butyl-2-[1-(2,2-difluoroethyl)imidazol-4-yl]sulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxamide (PubChem CID 164931979) has the molecular formula C15H20F2N6O3S and a molecular weight of 402.43 g/mol. Its IUPAC name is N-tert-butyl-2-[1-(2,2-difluoroethyl)imidazol-4-yl]sulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-2-[1-(2,2-difluoroethyl)imidazol-4-yl]sulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxamide
PubChem CID164931979
Molecular FormulaC15H20F2N6O3S
Molecular Weight402.43 g/mol
Exact Mass402.13
IUPAC NameN-tert-butyl-2-[1-(2,2-difluoroethyl)imidazol-4-yl]sulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxamide
SMILESCC(C)(C)NC(=O)N1Cc2cn(S(=O)(=O)c3cn(CC(F)F)cn3)nc2C1
InChIInChI=1S/C15H20F2N6O3S/c1-15(2,3)19-14(24)22-4-10-5-23(20-11(10)6-22)27(25,26)13-8-21(9-18-13)7-12(16)17/h5,8-9,12H,4,6-7H2,1-3H3,(H,19,24)
InChIKeyAGGJEOHVEXIYDW-UHFFFAOYSA-N
XLogP1.41
TPSA102.12 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.43
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[1-(2,2-difluoroethyl)imidazol-4-yl]sulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxamide?
The IUPAC name of N-tert-butyl-2-[1-(2,2-difluoroethyl)imidazol-4-yl]sulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxamide (CID 164931979) is N-tert-butyl-2-[1-(2,2-difluoroethyl)imidazol-4-yl]sulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxamide.
What is the SMILES notation for N-tert-butyl-2-[1-(2,2-difluoroethyl)imidazol-4-yl]sulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxamide?
The canonical SMILES for N-tert-butyl-2-[1-(2,2-difluoroethyl)imidazol-4-yl]sulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxamide is CC(C)(C)NC(=O)N1Cc2cn(S(=O)(=O)c3cn(CC(F)F)cn3)nc2C1.
What is the InChIKey of N-tert-butyl-2-[1-(2,2-difluoroethyl)imidazol-4-yl]sulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxamide?
The InChIKey is AGGJEOHVEXIYDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N6O3S/c1-15(2,3)19-14(24)22-4-10-5-23(20-11(10)6-22)27(25,26)13-8-21(9-18-13)7-12(16)17/h5,8-9,12H,4,6-7H2,1-3H3,(H,19,24).
What are the key properties of N-tert-butyl-2-[1-(2,2-difluoroethyl)imidazol-4-yl]sulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxamide?
N-tert-butyl-2-[1-(2,2-difluoroethyl)imidazol-4-yl]sulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxamide has a molecular weight of 402.43 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[1-(2,2-difluoroethyl)imidazol-4-yl]sulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxamide is sourced from PubChem (CID 164931979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).