N-[5-(3-fluorophenyl)sulfonyl-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-4-morpholin-4-ylbenzamide

C24H26FN5O4S — CID 24751046

IUPACN-[5-(3-fluorophenyl)sulfonyl-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-4-morpholin-4-ylbenzamide
SMILESCC1(C)c2[nH]nc(NC(=O)c3ccc(N4CCOCC4)cc3)c2CN1S(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C24H26FN5O4S/c1-24(2)21-20(15-30(24)35(32,33)19-5-3-4-17(25)14-19)22(28-27-21)26-23(31)16-6-8-18(9-7-16)29-10-12-34-13-11-29/h3-9,14H,10-13,15H2,1-2H3,(H2,26,27,28,31)
InChIKeyGQDBULFIFLLPTN-UHFFFAOYSA-N
MW499.57 g/mol
LogP3.08
Rot. Bonds5

About N-[5-(3-fluorophenyl)sulfonyl-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-4-morpholin-4-ylbenzamide

N-[5-(3-fluorophenyl)sulfonyl-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-4-morpholin-4-ylbenzamide (PubChem CID 24751046) has the molecular formula C24H26FN5O4S and a molecular weight of 499.57 g/mol. Its IUPAC name is N-[5-(3-fluorophenyl)sulfonyl-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-4-morpholin-4-ylbenzamide.

Molecular Properties

Compound NameN-[5-(3-fluorophenyl)sulfonyl-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-4-morpholin-4-ylbenzamide
PubChem CID24751046
Molecular FormulaC24H26FN5O4S
Molecular Weight499.57 g/mol
Exact Mass499.17
IUPAC NameN-[5-(3-fluorophenyl)sulfonyl-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-4-morpholin-4-ylbenzamide
SMILESCC1(C)c2[nH]nc(NC(=O)c3ccc(N4CCOCC4)cc3)c2CN1S(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C24H26FN5O4S/c1-24(2)21-20(15-30(24)35(32,33)19-5-3-4-17(25)14-19)22(28-27-21)26-23(31)16-6-8-18(9-7-16)29-10-12-34-13-11-29/h3-9,14H,10-13,15H2,1-2H3,(H2,26,27,28,31)
InChIKeyGQDBULFIFLLPTN-UHFFFAOYSA-N
XLogP3.08
TPSA107.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.57
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-(3,5-difluorophenyl)sulfonyl-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-2-(methylamino)-4-morpholin-4-ylbenzamide;pyrrolidine
CID 143485312
4-(4-tert-butylpiperazin-1-yl)-N-[5-(3-fluorophenyl)sulfonyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]benzamide
CID 68989242
1-N-[5-(3,5-difluorophenyl)sulfonyl-7,7-dimethyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-3-yl]-4-morpholin-4-ylbenzene-1,2-dicarboxamide
CID 67493787
2-(2-aminopropanoylamino)-N-[5-(3,5-difluorophenyl)sulfonyl-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide
CID 68985303
N-[5-(3,5-difluorophenyl)sulfonyl-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-4-[2-(dimethylamino)ethoxy]-2-(oxan-4-ylamino)benzamide
CID 67009372
N-[2-[[5-(3,5-difluorophenyl)sulfonyl-7,7-dimethyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-3-yl]carbamoyl]-5-morpholin-4-ylphenyl]-1-methylpyrrolidine-2-carboxamide
CID 67203408
N-[2-[[5-(3,5-difluorophenyl)sulfonyl-7,7-dimethyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-3-yl]carbamoyl]-5-(4-methylpiperazin-1-yl)phenyl]morpholine-4-carboxamide
CID 67201836
N-[6,6-dimethyl-5-(4-methylpiperidine-1-carbonyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-3-fluorobenzamide
CID 10408632
N-(2,6-dimethoxyphenyl)-6,6-dimethyl-3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide
CID 24947700
1-(2-amino-4-morpholin-4-ylphenyl)-2-[5-(3,5-difluorophenyl)sulfonyl-6,6-dimethyl-2,4-dihydropyrrolo[3,4-c]pyrazol-3-yl]ethanone
CID 58524114
N-[(3-fluorophenyl)methyl]-3-[(4-morpholin-4-ylbenzoyl)amino]-1H-thieno[3,2-c]pyrazole-5-carboxamide
CID 11847193
N-[5-[2-(2,3-difluorophenyl)acetyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide
CID 24946777

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-fluorophenyl)sulfonyl-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-4-morpholin-4-ylbenzamide?
The IUPAC name of N-[5-(3-fluorophenyl)sulfonyl-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-4-morpholin-4-ylbenzamide (CID 24751046) is N-[5-(3-fluorophenyl)sulfonyl-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-4-morpholin-4-ylbenzamide.
What is the SMILES notation for N-[5-(3-fluorophenyl)sulfonyl-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-4-morpholin-4-ylbenzamide?
The canonical SMILES for N-[5-(3-fluorophenyl)sulfonyl-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-4-morpholin-4-ylbenzamide is CC1(C)c2[nH]nc(NC(=O)c3ccc(N4CCOCC4)cc3)c2CN1S(=O)(=O)c1cccc(F)c1.
What is the InChIKey of N-[5-(3-fluorophenyl)sulfonyl-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-4-morpholin-4-ylbenzamide?
The InChIKey is GQDBULFIFLLPTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN5O4S/c1-24(2)21-20(15-30(24)35(32,33)19-5-3-4-17(25)14-19)22(28-27-21)26-23(31)16-6-8-18(9-7-16)29-10-12-34-13-11-29/h3-9,14H,10-13,15H2,1-2H3,(H2,26,27,28,31).
What are the key properties of N-[5-(3-fluorophenyl)sulfonyl-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-4-morpholin-4-ylbenzamide?
N-[5-(3-fluorophenyl)sulfonyl-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-4-morpholin-4-ylbenzamide has a molecular weight of 499.57 g/mol, XLogP of 3.08, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-fluorophenyl)sulfonyl-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-4-morpholin-4-ylbenzamide is sourced from PubChem (CID 24751046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).