1-[[6-[(1R,5S)-6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-2-methyl-3-pyridinyl]methyl]-N-[(6R)-3-methyl-2-(2-trimethylsilylethoxymethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-6-yl]pyrazole-4-carboxamide

C30H43N7O3Si — CID 153453441

IUPAC1-[[6-[(1R,5S)-6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-2-methyl-3-pyridinyl]methyl]-N-[(6R)-3-methyl-2-(2-trimethylsilylethoxymethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-6-yl]pyrazole-4-carboxamide
SMILESCc1nc(N2C[C@@H]3C(CO)[C@@H]3C2)ccc1Cn1cc(C(=O)N[C@@H]2CCc3c2nn(COCC[Si](C)(C)C)c3C)cn1
InChIInChI=1S/C30H43N7O3Si/c1-19-21(6-9-28(32-19)35-15-24-25(16-35)26(24)17-38)13-36-14-22(12-31-36)30(39)33-27-8-7-23-20(2)37(34-29(23)27)18-40-10-11-41(3,4)5/h6,9,12,14,24-27,38H,7-8,10-11,13,15-18H2,1-5H3,(H,33,39)/t24-,25+,26?,27-/m1/s1
InChIKeyJIMFFGPZQNHMHY-RIFKGGETSA-N
MW577.81 g/mol
LogP3.54
Rot. Bonds11

About 1-[[6-[(1R,5S)-6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-2-methyl-3-pyridinyl]methyl]-N-[(6R)-3-methyl-2-(2-trimethylsilylethoxymethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-6-yl]pyrazole-4-carboxamide

1-[[6-[(1R,5S)-6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-2-methyl-3-pyridinyl]methyl]-N-[(6R)-3-methyl-2-(2-trimethylsilylethoxymethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-6-yl]pyrazole-4-carboxamide (PubChem CID 153453441) has the molecular formula C30H43N7O3Si and a molecular weight of 577.81 g/mol. Its IUPAC name is 1-[[6-[(1R,5S)-6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-2-methyl-3-pyridinyl]methyl]-N-[(6R)-3-methyl-2-(2-trimethylsilylethoxymethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-6-yl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[[6-[(1R,5S)-6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-2-methyl-3-pyridinyl]methyl]-N-[(6R)-3-methyl-2-(2-trimethylsilylethoxymethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-6-yl]pyrazole-4-carboxamide
PubChem CID153453441
Molecular FormulaC30H43N7O3Si
Molecular Weight577.81 g/mol
Exact Mass577.32
IUPAC Name1-[[6-[(1R,5S)-6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-2-methyl-3-pyridinyl]methyl]-N-[(6R)-3-methyl-2-(2-trimethylsilylethoxymethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-6-yl]pyrazole-4-carboxamide
SMILESCc1nc(N2C[C@@H]3C(CO)[C@@H]3C2)ccc1Cn1cc(C(=O)N[C@@H]2CCc3c2nn(COCC[Si](C)(C)C)c3C)cn1
InChIInChI=1S/C30H43N7O3Si/c1-19-21(6-9-28(32-19)35-15-24-25(16-35)26(24)17-38)13-36-14-22(12-31-36)30(39)33-27-8-7-23-20(2)37(34-29(23)27)18-40-10-11-41(3,4)5/h6,9,12,14,24-27,38H,7-8,10-11,13,15-18H2,1-5H3,(H,33,39)/t24-,25+,26?,27-/m1/s1
InChIKeyJIMFFGPZQNHMHY-RIFKGGETSA-N
XLogP3.54
TPSA110.33 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500577.81
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[[6-[(1R,5S)-6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-2-methyl-3-pyridinyl]methyl]-N-[(6R)-3-methyl-2-(2-trimethylsilylethoxymethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-6-yl]pyrazole-4-carboxamide?
The IUPAC name of 1-[[6-[(1R,5S)-6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-2-methyl-3-pyridinyl]methyl]-N-[(6R)-3-methyl-2-(2-trimethylsilylethoxymethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-6-yl]pyrazole-4-carboxamide (CID 153453441) is 1-[[6-[(1R,5S)-6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-2-methyl-3-pyridinyl]methyl]-N-[(6R)-3-methyl-2-(2-trimethylsilylethoxymethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-6-yl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-[[6-[(1R,5S)-6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-2-methyl-3-pyridinyl]methyl]-N-[(6R)-3-methyl-2-(2-trimethylsilylethoxymethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-6-yl]pyrazole-4-carboxamide?
The canonical SMILES for 1-[[6-[(1R,5S)-6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-2-methyl-3-pyridinyl]methyl]-N-[(6R)-3-methyl-2-(2-trimethylsilylethoxymethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-6-yl]pyrazole-4-carboxamide is Cc1nc(N2C[C@@H]3C(CO)[C@@H]3C2)ccc1Cn1cc(C(=O)N[C@@H]2CCc3c2nn(COCC[Si](C)(C)C)c3C)cn1.
What is the InChIKey of 1-[[6-[(1R,5S)-6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-2-methyl-3-pyridinyl]methyl]-N-[(6R)-3-methyl-2-(2-trimethylsilylethoxymethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-6-yl]pyrazole-4-carboxamide?
The InChIKey is JIMFFGPZQNHMHY-RIFKGGETSA-N. The full InChI is InChI=1S/C30H43N7O3Si/c1-19-21(6-9-28(32-19)35-15-24-25(16-35)26(24)17-38)13-36-14-22(12-31-36)30(39)33-27-8-7-23-20(2)37(34-29(23)27)18-40-10-11-41(3,4)5/h6,9,12,14,24-27,38H,7-8,10-11,13,15-18H2,1-5H3,(H,33,39)/t24-,25+,26?,27-/m1/s1.
What are the key properties of 1-[[6-[(1R,5S)-6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-2-methyl-3-pyridinyl]methyl]-N-[(6R)-3-methyl-2-(2-trimethylsilylethoxymethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-6-yl]pyrazole-4-carboxamide?
1-[[6-[(1R,5S)-6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-2-methyl-3-pyridinyl]methyl]-N-[(6R)-3-methyl-2-(2-trimethylsilylethoxymethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-6-yl]pyrazole-4-carboxamide has a molecular weight of 577.81 g/mol, XLogP of 3.54, 11 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-[(1R,5S)-6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-2-methyl-3-pyridinyl]methyl]-N-[(6R)-3-methyl-2-(2-trimethylsilylethoxymethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-6-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 153453441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).