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

C25H27N7O — CID 156826644

IUPAC1-[[4-(3-azabicyclo[3.1.0]hexan-3-yl)-3-cyano-2-methylphenyl]methyl]-N-[(6R)-3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-6-yl]imidazole-4-carboxamide
SMILESCc1c(Cn2cnc(C(=O)N[C@@H]3CCc4c3ncn4C)c2)ccc(N2CC3CC3C2)c1C#N
InChIInChI=1S/C25H27N7O/c1-15-16(3-5-22(19(15)8-26)32-10-17-7-18(17)11-32)9-31-12-21(27-14-31)25(33)29-20-4-6-23-24(20)28-13-30(23)2/h3,5,12-14,17-18,20H,4,6-7,9-11H2,1-2H3,(H,29,33)/t17?,18?,20-/m1/s1
InChIKeyGIEYEOLNHMBEJX-AFMYVXGZSA-N
MW441.54 g/mol
LogP2.72
Rot. Bonds5

About 1-[[4-(3-azabicyclo[3.1.0]hexan-3-yl)-3-cyano-2-methylphenyl]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)-3-cyano-2-methylphenyl]methyl]-N-[(6R)-3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-6-yl]imidazole-4-carboxamide (PubChem CID 156826644) has the molecular formula C25H27N7O and a molecular weight of 441.54 g/mol. Its IUPAC name is 1-[[4-(3-azabicyclo[3.1.0]hexan-3-yl)-3-cyano-2-methylphenyl]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)-3-cyano-2-methylphenyl]methyl]-N-[(6R)-3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-6-yl]imidazole-4-carboxamide
PubChem CID156826644
Molecular FormulaC25H27N7O
Molecular Weight441.54 g/mol
Exact Mass441.23
IUPAC Name1-[[4-(3-azabicyclo[3.1.0]hexan-3-yl)-3-cyano-2-methylphenyl]methyl]-N-[(6R)-3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-6-yl]imidazole-4-carboxamide
SMILESCc1c(Cn2cnc(C(=O)N[C@@H]3CCc4c3ncn4C)c2)ccc(N2CC3CC3C2)c1C#N
InChIInChI=1S/C25H27N7O/c1-15-16(3-5-22(19(15)8-26)32-10-17-7-18(17)11-32)9-31-12-21(27-14-31)25(33)29-20-4-6-23-24(20)28-13-30(23)2/h3,5,12-14,17-18,20H,4,6-7,9-11H2,1-2H3,(H,29,33)/t17?,18?,20-/m1/s1
InChIKeyGIEYEOLNHMBEJX-AFMYVXGZSA-N
XLogP2.72
TPSA91.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.54
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[[4-(3-azabicyclo[3.1.0]hexan-3-yl)-3-cyano-2-methylphenyl]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)-3-cyano-2-methylphenyl]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)-3-cyano-2-methylphenyl]methyl]-N-[(6R)-3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-6-yl]imidazole-4-carboxamide (CID 156826644) is 1-[[4-(3-azabicyclo[3.1.0]hexan-3-yl)-3-cyano-2-methylphenyl]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)-3-cyano-2-methylphenyl]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)-3-cyano-2-methylphenyl]methyl]-N-[(6R)-3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-6-yl]imidazole-4-carboxamide is Cc1c(Cn2cnc(C(=O)N[C@@H]3CCc4c3ncn4C)c2)ccc(N2CC3CC3C2)c1C#N.
What is the InChIKey of 1-[[4-(3-azabicyclo[3.1.0]hexan-3-yl)-3-cyano-2-methylphenyl]methyl]-N-[(6R)-3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-6-yl]imidazole-4-carboxamide?
The InChIKey is GIEYEOLNHMBEJX-AFMYVXGZSA-N. The full InChI is InChI=1S/C25H27N7O/c1-15-16(3-5-22(19(15)8-26)32-10-17-7-18(17)11-32)9-31-12-21(27-14-31)25(33)29-20-4-6-23-24(20)28-13-30(23)2/h3,5,12-14,17-18,20H,4,6-7,9-11H2,1-2H3,(H,29,33)/t17?,18?,20-/m1/s1.
What are the key properties of 1-[[4-(3-azabicyclo[3.1.0]hexan-3-yl)-3-cyano-2-methylphenyl]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)-3-cyano-2-methylphenyl]methyl]-N-[(6R)-3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-6-yl]imidazole-4-carboxamide has a molecular weight of 441.54 g/mol, XLogP of 2.72, 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)-3-cyano-2-methylphenyl]methyl]-N-[(6R)-3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-6-yl]imidazole-4-carboxamide is sourced from PubChem (CID 156826644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).