2-[(3S)-2-azabicyclo[3.1.0]hexan-3-yl]-5-[4-[4-[2-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazole-4-carbonitrile

C29H27N7 — CID 70673417

IUPAC2-[(3S)-2-azabicyclo[3.1.0]hexan-3-yl]-5-[4-[4-[2-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazole-4-carbonitrile
SMILESN#Cc1nc([C@@H]2CC3CC3N2)[nH]c1-c1ccc(-c2ccc(-c3cnc([C@@H]4C[C@H]5C[C@H]5N4)[nH]3)cc2)cc1
InChIInChI=1S/C29H27N7/c30-13-25-27(36-29(34-25)24-12-20-10-22(20)33-24)18-7-3-16(4-8-18)15-1-5-17(6-2-15)26-14-31-28(35-26)23-11-19-9-21(19)32-23/h1-8,14,19-24,32-33H,9-12H2,(H,31,35)(H,34,36)/t19-,20?,21-,22?,23+,24+/m1/s1
InChIKeyWPDXHYBALVBXRJ-AKRBJMISSA-N
MW473.58 g/mol
LogP4.85
Rot. Bonds5

About 2-[(3S)-2-azabicyclo[3.1.0]hexan-3-yl]-5-[4-[4-[2-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazole-4-carbonitrile

2-[(3S)-2-azabicyclo[3.1.0]hexan-3-yl]-5-[4-[4-[2-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazole-4-carbonitrile (PubChem CID 70673417) has the molecular formula C29H27N7 and a molecular weight of 473.58 g/mol. Its IUPAC name is 2-[(3S)-2-azabicyclo[3.1.0]hexan-3-yl]-5-[4-[4-[2-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazole-4-carbonitrile.

Molecular Properties

Compound Name2-[(3S)-2-azabicyclo[3.1.0]hexan-3-yl]-5-[4-[4-[2-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazole-4-carbonitrile
PubChem CID70673417
Molecular FormulaC29H27N7
Molecular Weight473.58 g/mol
Exact Mass473.23
IUPAC Name2-[(3S)-2-azabicyclo[3.1.0]hexan-3-yl]-5-[4-[4-[2-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazole-4-carbonitrile
SMILESN#Cc1nc([C@@H]2CC3CC3N2)[nH]c1-c1ccc(-c2ccc(-c3cnc([C@@H]4C[C@H]5C[C@H]5N4)[nH]3)cc2)cc1
InChIInChI=1S/C29H27N7/c30-13-25-27(36-29(34-25)24-12-20-10-22(20)33-24)18-7-3-16(4-8-18)15-1-5-17(6-2-15)26-14-31-28(35-26)23-11-19-9-21(19)32-23/h1-8,14,19-24,32-33H,9-12H2,(H,31,35)(H,34,36)/t19-,20?,21-,22?,23+,24+/m1/s1
InChIKeyWPDXHYBALVBXRJ-AKRBJMISSA-N
XLogP4.85
TPSA105.21 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.58
LogP ≤ 54.85
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 2-[(3S)-2-azabicyclo[3.1.0]hexan-3-yl]-5-[4-[4-[2-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazole-4-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-2-azabicyclo[3.1.0]hexan-3-yl]-5-[4-[4-[2-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazole-4-carbonitrile?
The IUPAC name of 2-[(3S)-2-azabicyclo[3.1.0]hexan-3-yl]-5-[4-[4-[2-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazole-4-carbonitrile (CID 70673417) is 2-[(3S)-2-azabicyclo[3.1.0]hexan-3-yl]-5-[4-[4-[2-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazole-4-carbonitrile.
What is the SMILES notation for 2-[(3S)-2-azabicyclo[3.1.0]hexan-3-yl]-5-[4-[4-[2-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazole-4-carbonitrile?
The canonical SMILES for 2-[(3S)-2-azabicyclo[3.1.0]hexan-3-yl]-5-[4-[4-[2-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazole-4-carbonitrile is N#Cc1nc([C@@H]2CC3CC3N2)[nH]c1-c1ccc(-c2ccc(-c3cnc([C@@H]4C[C@H]5C[C@H]5N4)[nH]3)cc2)cc1.
What is the InChIKey of 2-[(3S)-2-azabicyclo[3.1.0]hexan-3-yl]-5-[4-[4-[2-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazole-4-carbonitrile?
The InChIKey is WPDXHYBALVBXRJ-AKRBJMISSA-N. The full InChI is InChI=1S/C29H27N7/c30-13-25-27(36-29(34-25)24-12-20-10-22(20)33-24)18-7-3-16(4-8-18)15-1-5-17(6-2-15)26-14-31-28(35-26)23-11-19-9-21(19)32-23/h1-8,14,19-24,32-33H,9-12H2,(H,31,35)(H,34,36)/t19-,20?,21-,22?,23+,24+/m1/s1.
What are the key properties of 2-[(3S)-2-azabicyclo[3.1.0]hexan-3-yl]-5-[4-[4-[2-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazole-4-carbonitrile?
2-[(3S)-2-azabicyclo[3.1.0]hexan-3-yl]-5-[4-[4-[2-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazole-4-carbonitrile has a molecular weight of 473.58 g/mol, XLogP of 4.85, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-2-azabicyclo[3.1.0]hexan-3-yl]-5-[4-[4-[2-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazole-4-carbonitrile is sourced from PubChem (CID 70673417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).