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

C24H25N7O — CID 156826324

IUPAC1-[[4-(3-azabicyclo[3.1.0]hexan-3-yl)-2-cyanophenyl]methyl]-N-[(6R)-3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-6-yl]imidazole-4-carboxamide
SMILESCn1cnc2c1CC[C@H]2NC(=O)c1cn(Cc2ccc(N3CC4CC4C3)cc2C#N)cn1
InChIInChI=1S/C24H25N7O/c1-29-13-27-23-20(4-5-22(23)29)28-24(32)21-12-30(14-26-21)9-15-2-3-19(7-16(15)8-25)31-10-17-6-18(17)11-31/h2-3,7,12-14,17-18,20H,4-6,9-11H2,1H3,(H,28,32)/t17?,18?,20-/m1/s1
InChIKeyKZLVQSNMHFYIJD-AFMYVXGZSA-N
MW427.51 g/mol
LogP2.41
Rot. Bonds5

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

1-[[4-(3-azabicyclo[3.1.0]hexan-3-yl)-2-cyanophenyl]methyl]-N-[(6R)-3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-6-yl]imidazole-4-carboxamide (PubChem CID 156826324) has the molecular formula C24H25N7O and a molecular weight of 427.51 g/mol. Its IUPAC name is 1-[[4-(3-azabicyclo[3.1.0]hexan-3-yl)-2-cyanophenyl]methyl]-N-[(6R)-3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-6-yl]imidazole-4-carboxamide.

Molecular Properties

Compound Name1-[[4-(3-azabicyclo[3.1.0]hexan-3-yl)-2-cyanophenyl]methyl]-N-[(6R)-3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-6-yl]imidazole-4-carboxamide
PubChem CID156826324
Molecular FormulaC24H25N7O
Molecular Weight427.51 g/mol
Exact Mass427.21
IUPAC Name1-[[4-(3-azabicyclo[3.1.0]hexan-3-yl)-2-cyanophenyl]methyl]-N-[(6R)-3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-6-yl]imidazole-4-carboxamide
SMILESCn1cnc2c1CC[C@H]2NC(=O)c1cn(Cc2ccc(N3CC4CC4C3)cc2C#N)cn1
InChIInChI=1S/C24H25N7O/c1-29-13-27-23-20(4-5-22(23)29)28-24(32)21-12-30(14-26-21)9-15-2-3-19(7-16(15)8-25)31-10-17-6-18(17)11-31/h2-3,7,12-14,17-18,20H,4-6,9-11H2,1H3,(H,28,32)/t17?,18?,20-/m1/s1
InChIKeyKZLVQSNMHFYIJD-AFMYVXGZSA-N
XLogP2.41
TPSA91.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.51
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[[4-(3-azabicyclo[3.1.0]hexan-3-yl)-2-cyanophenyl]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-[[4-(3-azabicyclo[3.1.0]hexan-3-yl)-2-cyanophenyl]methyl]-N-[(6R)-3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-6-yl]imidazole-4-carboxamide?
The IUPAC name of 1-[[4-(3-azabicyclo[3.1.0]hexan-3-yl)-2-cyanophenyl]methyl]-N-[(6R)-3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-6-yl]imidazole-4-carboxamide (CID 156826324) is 1-[[4-(3-azabicyclo[3.1.0]hexan-3-yl)-2-cyanophenyl]methyl]-N-[(6R)-3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-6-yl]imidazole-4-carboxamide.
What is the SMILES notation for 1-[[4-(3-azabicyclo[3.1.0]hexan-3-yl)-2-cyanophenyl]methyl]-N-[(6R)-3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-6-yl]imidazole-4-carboxamide?
The canonical SMILES for 1-[[4-(3-azabicyclo[3.1.0]hexan-3-yl)-2-cyanophenyl]methyl]-N-[(6R)-3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-6-yl]imidazole-4-carboxamide is Cn1cnc2c1CC[C@H]2NC(=O)c1cn(Cc2ccc(N3CC4CC4C3)cc2C#N)cn1.
What is the InChIKey of 1-[[4-(3-azabicyclo[3.1.0]hexan-3-yl)-2-cyanophenyl]methyl]-N-[(6R)-3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-6-yl]imidazole-4-carboxamide?
The InChIKey is KZLVQSNMHFYIJD-AFMYVXGZSA-N. The full InChI is InChI=1S/C24H25N7O/c1-29-13-27-23-20(4-5-22(23)29)28-24(32)21-12-30(14-26-21)9-15-2-3-19(7-16(15)8-25)31-10-17-6-18(17)11-31/h2-3,7,12-14,17-18,20H,4-6,9-11H2,1H3,(H,28,32)/t17?,18?,20-/m1/s1.
What are the key properties of 1-[[4-(3-azabicyclo[3.1.0]hexan-3-yl)-2-cyanophenyl]methyl]-N-[(6R)-3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-6-yl]imidazole-4-carboxamide?
1-[[4-(3-azabicyclo[3.1.0]hexan-3-yl)-2-cyanophenyl]methyl]-N-[(6R)-3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-6-yl]imidazole-4-carboxamide has a molecular weight of 427.51 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(3-azabicyclo[3.1.0]hexan-3-yl)-2-cyanophenyl]methyl]-N-[(6R)-3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-6-yl]imidazole-4-carboxamide is sourced from PubChem (CID 156826324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).