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1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-(2-methylpropyl)-3-pyridinyl]methyl]-N-[(6R)-3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-6-yl]imidazole-4-carboxamide

C26H33N7O — CID 156826378

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-(2-methylpropyl)-3-pyridinyl]methyl]-N-[(6R)-3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-6-yl]imidazole-4-carboxamide
SMILESCC(C)Cc1nc(N2CC3CC3C2)ccc1Cn1cnc(C(=O)N[C@@H]2CCc3c2ncn3C)c1
InChIInChI=1S/C26H33N7O/c1-16(2)8-21-17(4-7-24(29-21)33-11-18-9-19(18)12-33)10-32-13-22(27-15-32)26(34)30-20-5-6-23-25(20)28-14-31(23)3/h4,7,13-16,18-20H,5-6,8-12H2,1-3H3,(H,30,34)/t18?,19?,20-/m1/s1
InChIKeySAONXEZJRSXCCH-SOAGJPPSSA-N
MW459.60 g/mol
LogP3.13
Rot. Bonds7

About 1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-(2-methylpropyl)-3-pyridinyl]methyl]-N-[(6R)-3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-6-yl]imidazole-4-carboxamide

1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-(2-methylpropyl)-3-pyridinyl]methyl]-N-[(6R)-3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-6-yl]imidazole-4-carboxamide (PubChem CID 156826378) has the molecular formula C26H33N7O and a molecular weight of 459.60 g/mol. Its IUPAC name is 1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-(2-methylpropyl)-3-pyridinyl]methyl]-N-[(6R)-3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-6-yl]imidazole-4-carboxamide.

Molecular Properties

Compound Name1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-(2-methylpropyl)-3-pyridinyl]methyl]-N-[(6R)-3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-6-yl]imidazole-4-carboxamide
PubChem CID156826378
Molecular FormulaC26H33N7O
Molecular Weight459.60 g/mol
Exact Mass459.27
IUPAC Name1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-(2-methylpropyl)-3-pyridinyl]methyl]-N-[(6R)-3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-6-yl]imidazole-4-carboxamide
SMILESCC(C)Cc1nc(N2CC3CC3C2)ccc1Cn1cnc(C(=O)N[C@@H]2CCc3c2ncn3C)c1
InChIInChI=1S/C26H33N7O/c1-16(2)8-21-17(4-7-24(29-21)33-11-18-9-19(18)12-33)10-32-13-22(27-15-32)26(34)30-20-5-6-23-25(20)28-14-31(23)3/h4,7,13-16,18-20H,5-6,8-12H2,1-3H3,(H,30,34)/t18?,19?,20-/m1/s1
InChIKeySAONXEZJRSXCCH-SOAGJPPSSA-N
XLogP3.13
TPSA80.87 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.60
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-(2-methylpropyl)-3-pyridinyl]methyl]-N-[(6R)-3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-6-yl]imidazole-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-(2-methylpropyl)-3-pyridinyl]methyl]-N-[(6R)-3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-6-yl]imidazole-4-carboxamide?
The IUPAC name of 1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-(2-methylpropyl)-3-pyridinyl]methyl]-N-[(6R)-3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-6-yl]imidazole-4-carboxamide (CID 156826378) is 1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-(2-methylpropyl)-3-pyridinyl]methyl]-N-[(6R)-3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-6-yl]imidazole-4-carboxamide.
What is the SMILES notation for 1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-(2-methylpropyl)-3-pyridinyl]methyl]-N-[(6R)-3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-6-yl]imidazole-4-carboxamide?
The canonical SMILES for 1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-(2-methylpropyl)-3-pyridinyl]methyl]-N-[(6R)-3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-6-yl]imidazole-4-carboxamide is CC(C)Cc1nc(N2CC3CC3C2)ccc1Cn1cnc(C(=O)N[C@@H]2CCc3c2ncn3C)c1.
What is the InChIKey of 1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-(2-methylpropyl)-3-pyridinyl]methyl]-N-[(6R)-3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-6-yl]imidazole-4-carboxamide?
The InChIKey is SAONXEZJRSXCCH-SOAGJPPSSA-N. The full InChI is InChI=1S/C26H33N7O/c1-16(2)8-21-17(4-7-24(29-21)33-11-18-9-19(18)12-33)10-32-13-22(27-15-32)26(34)30-20-5-6-23-25(20)28-14-31(23)3/h4,7,13-16,18-20H,5-6,8-12H2,1-3H3,(H,30,34)/t18?,19?,20-/m1/s1.
What are the key properties of 1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-(2-methylpropyl)-3-pyridinyl]methyl]-N-[(6R)-3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-6-yl]imidazole-4-carboxamide?
1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-(2-methylpropyl)-3-pyridinyl]methyl]-N-[(6R)-3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-6-yl]imidazole-4-carboxamide has a molecular weight of 459.60 g/mol, XLogP of 3.13, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-(2-methylpropyl)-3-pyridinyl]methyl]-N-[(6R)-3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-6-yl]imidazole-4-carboxamide is sourced from PubChem (CID 156826378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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