N-(2-chloro-5-methoxyphenyl)-6,6-dimethyl-3-[[1-(trimethyl-λ4-sulfanyl)cyclobutanecarbonyl]amino]-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide

C23H32ClN5O3S — CID 135195386

IUPACN-(2-chloro-5-methoxyphenyl)-6,6-dimethyl-3-[[1-(trimethyl-λ4-sulfanyl)cyclobutanecarbonyl]amino]-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide
SMILESCOc1ccc(Cl)c(NC(=O)N2Cc3c(NC(=O)C4(S(C)(C)C)CCC4)n[nH]c3C2(C)C)c1
InChIInChI=1S/C23H32ClN5O3S/c1-22(2)18-15(13-29(22)21(31)25-17-12-14(32-3)8-9-16(17)24)19(28-27-18)26-20(30)23(10-7-11-23)33(4,5)6/h8-9,12H,7,10-11,13H2,1-6H3,(H,25,31)(H2,26,27,28,30)
InChIKeyVGPDQVTXQMEGLP-UHFFFAOYSA-N
MW494.06 g/mol
LogP4.91
Rot. Bonds5

About N-(2-chloro-5-methoxyphenyl)-6,6-dimethyl-3-[[1-(trimethyl-λ4-sulfanyl)cyclobutanecarbonyl]amino]-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide

N-(2-chloro-5-methoxyphenyl)-6,6-dimethyl-3-[[1-(trimethyl-λ4-sulfanyl)cyclobutanecarbonyl]amino]-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide (PubChem CID 135195386) has the molecular formula C23H32ClN5O3S and a molecular weight of 494.06 g/mol. Its IUPAC name is N-(2-chloro-5-methoxyphenyl)-6,6-dimethyl-3-[[1-(trimethyl-λ4-sulfanyl)cyclobutanecarbonyl]amino]-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-5-methoxyphenyl)-6,6-dimethyl-3-[[1-(trimethyl-λ4-sulfanyl)cyclobutanecarbonyl]amino]-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide
PubChem CID135195386
Molecular FormulaC23H32ClN5O3S
Molecular Weight494.06 g/mol
Exact Mass493.19
IUPAC NameN-(2-chloro-5-methoxyphenyl)-6,6-dimethyl-3-[[1-(trimethyl-λ4-sulfanyl)cyclobutanecarbonyl]amino]-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide
SMILESCOc1ccc(Cl)c(NC(=O)N2Cc3c(NC(=O)C4(S(C)(C)C)CCC4)n[nH]c3C2(C)C)c1
InChIInChI=1S/C23H32ClN5O3S/c1-22(2)18-15(13-29(22)21(31)25-17-12-14(32-3)8-9-16(17)24)19(28-27-18)26-20(30)23(10-7-11-23)33(4,5)6/h8-9,12H,7,10-11,13H2,1-6H3,(H,25,31)(H2,26,27,28,30)
InChIKeyVGPDQVTXQMEGLP-UHFFFAOYSA-N
XLogP4.91
TPSA99.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.06
LogP ≤ 54.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-(2-chloro-5-methoxyphenyl)-6,6-dimethyl-3-[[1-(trimethyl-λ4-sulfanyl)cyclobutanecarbonyl]amino]-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide with MolForge

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Related Compounds

N-(2,5-dichlorophenyl)-6,6-dimethyl-3-[[1-(trimethyl-λ4-sulfanyl)cyclobutanecarbonyl]amino]-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide
CID 135195460
N-(2-chloro-5-fluorophenyl)-6,6-dimethyl-3-[[1-(trimethyl-λ4-sulfanyl)cyclobutanecarbonyl]amino]-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide
CID 135195429
1-N-[5-[(2,6-dichlorophenyl)carbamoyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-4-N-hydroxybenzene-1,4-dicarboxamide
CID 24948455
N-(2-hydroxy-2-phenylethyl)-6,6-dimethyl-3-[(1-trimethylsilylcyclobutanecarbonyl)amino]-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide
CID 140817031
N-[1-(3-fluorophenyl)-2-hydroxyethyl]-6,6-dimethyl-3-[(1-trimethylsilylcyclobutanecarbonyl)amino]-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide
CID 140817078
N-[5-[2-(2,6-difluorophenyl)acetyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-4-methoxybenzamide
CID 24948258
N-[1-(4-fluorophenyl)-3-hydroxy-2,2-dimethylpropyl]-6,6-dimethyl-3-[(1-trimethylsilylcyclobutanecarbonyl)amino]-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide
CID 140817107
N-(5-hydroxy-2,5-dimethylhexan-3-yl)-6,6-dimethyl-3-[(1-trimethylsilylcyclobutanecarbonyl)amino]-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide
CID 140817025
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
N-(2-chloro-5-methoxyphenyl)morpholine-4-carboxamide
CID 47421313
N-[5-(2-cyclohexyloxypropanoyl)-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-1-trimethylsilylcyclobutane-1-carboxamide
CID 140817121
4-N-[5-[(2,6-dichlorophenyl)carbamoyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-1-N-(1-methylpiperidin-4-yl)benzene-1,4-dicarboxamide
CID 24948453

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-methoxyphenyl)-6,6-dimethyl-3-[[1-(trimethyl-λ4-sulfanyl)cyclobutanecarbonyl]amino]-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide?
The IUPAC name of N-(2-chloro-5-methoxyphenyl)-6,6-dimethyl-3-[[1-(trimethyl-λ4-sulfanyl)cyclobutanecarbonyl]amino]-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide (CID 135195386) is N-(2-chloro-5-methoxyphenyl)-6,6-dimethyl-3-[[1-(trimethyl-λ4-sulfanyl)cyclobutanecarbonyl]amino]-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide.
What is the SMILES notation for N-(2-chloro-5-methoxyphenyl)-6,6-dimethyl-3-[[1-(trimethyl-λ4-sulfanyl)cyclobutanecarbonyl]amino]-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide?
The canonical SMILES for N-(2-chloro-5-methoxyphenyl)-6,6-dimethyl-3-[[1-(trimethyl-λ4-sulfanyl)cyclobutanecarbonyl]amino]-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide is COc1ccc(Cl)c(NC(=O)N2Cc3c(NC(=O)C4(S(C)(C)C)CCC4)n[nH]c3C2(C)C)c1.
What is the InChIKey of N-(2-chloro-5-methoxyphenyl)-6,6-dimethyl-3-[[1-(trimethyl-λ4-sulfanyl)cyclobutanecarbonyl]amino]-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide?
The InChIKey is VGPDQVTXQMEGLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32ClN5O3S/c1-22(2)18-15(13-29(22)21(31)25-17-12-14(32-3)8-9-16(17)24)19(28-27-18)26-20(30)23(10-7-11-23)33(4,5)6/h8-9,12H,7,10-11,13H2,1-6H3,(H,25,31)(H2,26,27,28,30).
What are the key properties of N-(2-chloro-5-methoxyphenyl)-6,6-dimethyl-3-[[1-(trimethyl-λ4-sulfanyl)cyclobutanecarbonyl]amino]-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide?
N-(2-chloro-5-methoxyphenyl)-6,6-dimethyl-3-[[1-(trimethyl-λ4-sulfanyl)cyclobutanecarbonyl]amino]-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide has a molecular weight of 494.06 g/mol, XLogP of 4.91, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-methoxyphenyl)-6,6-dimethyl-3-[[1-(trimethyl-λ4-sulfanyl)cyclobutanecarbonyl]amino]-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide is sourced from PubChem (CID 135195386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).