N-[5-[(2S)-2-benzyl-4-methylpiperazine-1-carbonyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]thiophene-2-carboxamide

C25H30N6O2S — CID 59508146

IUPACN-[5-[(2S)-2-benzyl-4-methylpiperazine-1-carbonyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]thiophene-2-carboxamide
SMILESCN1CCN(C(=O)N2Cc3c(NC(=O)c4cccs4)n[nH]c3C2(C)C)[C@@H](Cc2ccccc2)C1
InChIInChI=1S/C25H30N6O2S/c1-25(2)21-19(22(28-27-21)26-23(32)20-10-7-13-34-20)16-31(25)24(33)30-12-11-29(3)15-18(30)14-17-8-5-4-6-9-17/h4-10,13,18H,11-12,14-16H2,1-3H3,(H2,26,27,28,32)/t18-/m0/s1
InChIKeyCNROJLFRMNRYRC-SFHVURJKSA-N
MW478.62 g/mol
LogP3.75
Rot. Bonds4

About N-[5-[(2S)-2-benzyl-4-methylpiperazine-1-carbonyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]thiophene-2-carboxamide

N-[5-[(2S)-2-benzyl-4-methylpiperazine-1-carbonyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]thiophene-2-carboxamide (PubChem CID 59508146) has the molecular formula C25H30N6O2S and a molecular weight of 478.62 g/mol. Its IUPAC name is N-[5-[(2S)-2-benzyl-4-methylpiperazine-1-carbonyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[5-[(2S)-2-benzyl-4-methylpiperazine-1-carbonyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]thiophene-2-carboxamide
PubChem CID59508146
Molecular FormulaC25H30N6O2S
Molecular Weight478.62 g/mol
Exact Mass478.22
IUPAC NameN-[5-[(2S)-2-benzyl-4-methylpiperazine-1-carbonyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]thiophene-2-carboxamide
SMILESCN1CCN(C(=O)N2Cc3c(NC(=O)c4cccs4)n[nH]c3C2(C)C)[C@@H](Cc2ccccc2)C1
InChIInChI=1S/C25H30N6O2S/c1-25(2)21-19(22(28-27-21)26-23(32)20-10-7-13-34-20)16-31(25)24(33)30-12-11-29(3)15-18(30)14-17-8-5-4-6-9-17/h4-10,13,18H,11-12,14-16H2,1-3H3,(H2,26,27,28,32)/t18-/m0/s1
InChIKeyCNROJLFRMNRYRC-SFHVURJKSA-N
XLogP3.75
TPSA84.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.62
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[5-[(2S)-2-benzyl-4-methylpiperazine-1-carbonyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]thiophene-2-carboxamide with MolForge

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Related Compounds

4-tert-butyl-N-[5-(thien-2-ylacetyl)-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-yl]benzamide
CID 10112131
4-(4-methylpiperazin-1-yl)-N-[5-(2-thiophen-2-ylacetyl)-4,6-dihydro-1H-pyrrolo[3,4-c]pyrazol-3-yl]benzamide
CID 11751305
3-({[4-(4-Methylpiperazin-1-YL)phenyl]carbonyl}amino)-N-[(1R)-1-phenylpropyl]-1H-thieno[3,2-C]pyrazole-5-carboxamide
CID 11846878
N-[6,6-dimethyl-5-(1-methylpiperidine-4-carbonyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]benzamide
CID 9977141
N-{6,6-dimethyl-5-[(4-methylpiperazin-1-yl)carbonyl]-2,4,5,6-tetrahydro pyrrolo[3,4-c]pyrazol-3-yl}-4-fluorobenzamide
CID 10363602
3-[4-(4-Methyl-piperazin-1-yl)-benzoylamino]-1H-thieno[3,2-c]pyrazole-5-carboxylic acid benzylamide
CID 11846197
3-[4-(4-Methyl-piperazin-1-yl)-benzoylamino]-1H-thieno[3,2-c]pyrazole-5-carboxylic acid isopropylamide
CID 11846198
3-[4-(4-Methyl-piperazin-1-yl)-benzoylamino]-1H-thieno[3,2-c]pyrazole-5-carboxylic acid ethylamide
CID 11846199
3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-N-(1-phenylethyl)-1H-thieno[3,2-c]pyrazole-5-carboxamide
CID 11846366
3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-N-(1-phenylpropyl)-1H-thieno[3,2-c]pyrazole-5-carboxamide
CID 11846367
3-[4-(4-Methyl-piperazin-1-yl)-benzoylamino]-1H-thieno[3,2-c]pyrazole-5-carboxylic acid(R)-1-phenyl-ethyl)-amide
CID 11846701
3-[4-(4-Methyl-piperazin-1-yl)-benzoylamino]-1H-thieno[3,2-c]pyrazole-5-carboxylic acid((S)-1-phenyl-ethyl)-amide
CID 11846702

Frequently Asked Questions

What is the IUPAC name of N-[5-[(2S)-2-benzyl-4-methylpiperazine-1-carbonyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]thiophene-2-carboxamide?
The IUPAC name of N-[5-[(2S)-2-benzyl-4-methylpiperazine-1-carbonyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]thiophene-2-carboxamide (CID 59508146) is N-[5-[(2S)-2-benzyl-4-methylpiperazine-1-carbonyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[5-[(2S)-2-benzyl-4-methylpiperazine-1-carbonyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[5-[(2S)-2-benzyl-4-methylpiperazine-1-carbonyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]thiophene-2-carboxamide is CN1CCN(C(=O)N2Cc3c(NC(=O)c4cccs4)n[nH]c3C2(C)C)[C@@H](Cc2ccccc2)C1.
What is the InChIKey of N-[5-[(2S)-2-benzyl-4-methylpiperazine-1-carbonyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]thiophene-2-carboxamide?
The InChIKey is CNROJLFRMNRYRC-SFHVURJKSA-N. The full InChI is InChI=1S/C25H30N6O2S/c1-25(2)21-19(22(28-27-21)26-23(32)20-10-7-13-34-20)16-31(25)24(33)30-12-11-29(3)15-18(30)14-17-8-5-4-6-9-17/h4-10,13,18H,11-12,14-16H2,1-3H3,(H2,26,27,28,32)/t18-/m0/s1.
What are the key properties of N-[5-[(2S)-2-benzyl-4-methylpiperazine-1-carbonyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]thiophene-2-carboxamide?
N-[5-[(2S)-2-benzyl-4-methylpiperazine-1-carbonyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]thiophene-2-carboxamide has a molecular weight of 478.62 g/mol, XLogP of 3.75, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2S)-2-benzyl-4-methylpiperazine-1-carbonyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]thiophene-2-carboxamide is sourced from PubChem (CID 59508146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).