5-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-7-(1-cyclohexylbenzimidazol-5-yl)-1H-imidazo[4,5-b]pyridine

C25H29N7 — CID 118338690

IUPAC5-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-7-(1-cyclohexylbenzimidazol-5-yl)-1H-imidazo[4,5-b]pyridine
SMILESc1nc2nc(N3CC4CNCC4C3)cc(-c3ccc4c(c3)ncn4C3CCCCC3)c2[nH]1
InChIInChI=1S/C25H29N7/c1-2-4-19(5-3-1)32-15-29-21-8-16(6-7-22(21)32)20-9-23(30-25-24(20)27-14-28-25)31-12-17-10-26-11-18(17)13-31/h6-9,14-15,17-19,26H,1-5,10-13H2,(H,27,28,30)
InChIKeyDEDSYSQKGKSRLV-UHFFFAOYSA-N
MW427.56 g/mol
LogP4.14
Rot. Bonds3

About 5-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-7-(1-cyclohexylbenzimidazol-5-yl)-1H-imidazo[4,5-b]pyridine

5-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-7-(1-cyclohexylbenzimidazol-5-yl)-1H-imidazo[4,5-b]pyridine (PubChem CID 118338690) has the molecular formula C25H29N7 and a molecular weight of 427.56 g/mol. Its IUPAC name is 5-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-7-(1-cyclohexylbenzimidazol-5-yl)-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name5-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-7-(1-cyclohexylbenzimidazol-5-yl)-1H-imidazo[4,5-b]pyridine
PubChem CID118338690
Molecular FormulaC25H29N7
Molecular Weight427.56 g/mol
Exact Mass427.25
IUPAC Name5-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-7-(1-cyclohexylbenzimidazol-5-yl)-1H-imidazo[4,5-b]pyridine
SMILESc1nc2nc(N3CC4CNCC4C3)cc(-c3ccc4c(c3)ncn4C3CCCCC3)c2[nH]1
InChIInChI=1S/C25H29N7/c1-2-4-19(5-3-1)32-15-29-21-8-16(6-7-22(21)32)20-9-23(30-25-24(20)27-14-28-25)31-12-17-10-26-11-18(17)13-31/h6-9,14-15,17-19,26H,1-5,10-13H2,(H,27,28,30)
InChIKeyDEDSYSQKGKSRLV-UHFFFAOYSA-N
XLogP4.14
TPSA74.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.56
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-7-(1-cyclohexylbenzimidazol-5-yl)-1H-imidazo[4,5-b]pyridine 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 5-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-7-(1-cyclohexylbenzimidazol-5-yl)-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 5-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-7-(1-cyclohexylbenzimidazol-5-yl)-1H-imidazo[4,5-b]pyridine (CID 118338690) is 5-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-7-(1-cyclohexylbenzimidazol-5-yl)-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 5-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-7-(1-cyclohexylbenzimidazol-5-yl)-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 5-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-7-(1-cyclohexylbenzimidazol-5-yl)-1H-imidazo[4,5-b]pyridine is c1nc2nc(N3CC4CNCC4C3)cc(-c3ccc4c(c3)ncn4C3CCCCC3)c2[nH]1.
What is the InChIKey of 5-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-7-(1-cyclohexylbenzimidazol-5-yl)-1H-imidazo[4,5-b]pyridine?
The InChIKey is DEDSYSQKGKSRLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N7/c1-2-4-19(5-3-1)32-15-29-21-8-16(6-7-22(21)32)20-9-23(30-25-24(20)27-14-28-25)31-12-17-10-26-11-18(17)13-31/h6-9,14-15,17-19,26H,1-5,10-13H2,(H,27,28,30).
What are the key properties of 5-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-7-(1-cyclohexylbenzimidazol-5-yl)-1H-imidazo[4,5-b]pyridine?
5-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-7-(1-cyclohexylbenzimidazol-5-yl)-1H-imidazo[4,5-b]pyridine has a molecular weight of 427.56 g/mol, XLogP of 4.14, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-7-(1-cyclohexylbenzimidazol-5-yl)-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 118338690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).