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

C25H29N7 — CID 118338259

IUPAC6-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-4-(1-cyclohexylbenzimidazol-5-yl)-1H-imidazo[4,5-c]pyridine
SMILESc1nc2c(-c3ccc4c(c3)ncn4C3CCCCC3)nc(N3CC4CNCC4C3)cc2[nH]1
InChIInChI=1S/C25H29N7/c1-2-4-19(5-3-1)32-15-29-20-8-16(6-7-22(20)32)24-25-21(27-14-28-25)9-23(30-24)31-12-17-10-26-11-18(17)13-31/h6-9,14-15,17-19,26H,1-5,10-13H2,(H,27,28)
InChIKeyZFLHUDAPBSSBPL-UHFFFAOYSA-N
MW427.56 g/mol
LogP4.14
Rot. Bonds3

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

6-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-4-(1-cyclohexylbenzimidazol-5-yl)-1H-imidazo[4,5-c]pyridine (PubChem CID 118338259) has the molecular formula C25H29N7 and a molecular weight of 427.56 g/mol. Its IUPAC name is 6-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-4-(1-cyclohexylbenzimidazol-5-yl)-1H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name6-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-4-(1-cyclohexylbenzimidazol-5-yl)-1H-imidazo[4,5-c]pyridine
PubChem CID118338259
Molecular FormulaC25H29N7
Molecular Weight427.56 g/mol
Exact Mass427.25
IUPAC Name6-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-4-(1-cyclohexylbenzimidazol-5-yl)-1H-imidazo[4,5-c]pyridine
SMILESc1nc2c(-c3ccc4c(c3)ncn4C3CCCCC3)nc(N3CC4CNCC4C3)cc2[nH]1
InChIInChI=1S/C25H29N7/c1-2-4-19(5-3-1)32-15-29-20-8-16(6-7-22(20)32)24-25-21(27-14-28-25)9-23(30-24)31-12-17-10-26-11-18(17)13-31/h6-9,14-15,17-19,26H,1-5,10-13H2,(H,27,28)
InChIKeyZFLHUDAPBSSBPL-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 6-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-4-(1-cyclohexylbenzimidazol-5-yl)-1H-imidazo[4,5-c]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 6-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-4-(1-cyclohexylbenzimidazol-5-yl)-1H-imidazo[4,5-c]pyridine?
The IUPAC name of 6-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-4-(1-cyclohexylbenzimidazol-5-yl)-1H-imidazo[4,5-c]pyridine (CID 118338259) is 6-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-4-(1-cyclohexylbenzimidazol-5-yl)-1H-imidazo[4,5-c]pyridine.
What is the SMILES notation for 6-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-4-(1-cyclohexylbenzimidazol-5-yl)-1H-imidazo[4,5-c]pyridine?
The canonical SMILES for 6-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-4-(1-cyclohexylbenzimidazol-5-yl)-1H-imidazo[4,5-c]pyridine is c1nc2c(-c3ccc4c(c3)ncn4C3CCCCC3)nc(N3CC4CNCC4C3)cc2[nH]1.
What is the InChIKey of 6-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-4-(1-cyclohexylbenzimidazol-5-yl)-1H-imidazo[4,5-c]pyridine?
The InChIKey is ZFLHUDAPBSSBPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N7/c1-2-4-19(5-3-1)32-15-29-20-8-16(6-7-22(20)32)24-25-21(27-14-28-25)9-23(30-24)31-12-17-10-26-11-18(17)13-31/h6-9,14-15,17-19,26H,1-5,10-13H2,(H,27,28).
What are the key properties of 6-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-4-(1-cyclohexylbenzimidazol-5-yl)-1H-imidazo[4,5-c]pyridine?
6-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-4-(1-cyclohexylbenzimidazol-5-yl)-1H-imidazo[4,5-c]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 6-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-4-(1-cyclohexylbenzimidazol-5-yl)-1H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 118338259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).