3-[4-(2-bicyclo[2.2.2]octanylmethyl)-2-pyridinyl]-4H-[1]benzofuro[3,2-b]pyridin-4-ide;[4-(cyclopentylmethyl)-5-methyl-6-(3-methylbenzene-2-id-1-yl)-3-pyridinyl]-trimethylgermane;bis([4-(cyclopentylmethyl)-6-phenyl-3-pyridinyl]-trimethylgermane);7-[4-(2-cyclopentylpropan-2-yl)-2-pyridinyl]-2-methyl-8H-[1]benzofuro[2,3-b]pyridin-8-ide;tris(iridium);3-[4-(3-methylpentan-3-yl)-2-pyridinyl]-4H-[1]benzofuro[3,2-b]pyridin-4-ide

C134H151Ge3Ir3N9O3-6 — CID 163665380

IUPAC3-[4-(2-bicyclo[2.2.2]octanylmethyl)-2-pyridinyl]-4H-[1]benzofuro[3,2-b]pyridin-4-ide;[4-(cyclopentylmethyl)-5-methyl-6-(3-methylbenzene-2-id-1-yl)-3-pyridinyl]-trimethylgermane;bis([4-(cyclopentylmethyl)-6-phenyl-3-pyridinyl]-trimethylgermane);7-[4-(2-cyclopentylpropan-2-yl)-2-pyridinyl]-2-methyl-8H-[1]benzofuro[2,3-b]pyridin-8-ide;tris(iridium);3-[4-(3-methylpentan-3-yl)-2-pyridinyl]-4H-[1]benzofuro[3,2-b]pyridin-4-ide
SMILESCCC(C)(CC)c1ccnc(-c2[c-]c3oc4ccccc4c3nc2)c1.C[Ge](C)(C)c1cnc(-c2[c-]cccc2)cc1CC1CCCC1.C[Ge](C)(C)c1cnc(-c2[c-]cccc2)cc1CC1CCCC1.Cc1[c-]c(-c2ncc([Ge](C)(C)C)c(CC3CCCC3)c2C)ccc1.Cc1ccc2c(n1)oc1[c-]c(-c3cc(C(C)(C)C4CCCC4)ccn3)ccc12.[Ir].[Ir].[Ir].[c-]1c(-c2cc(CC3CC4CCC3CC4)ccn2)cnc2c1oc1ccccc12
InChIInChI=1S/C25H23N2O.C25H25N2O.C22H30GeN.C22H21N2O.2C20H26GeN.3Ir/c1-2-4-23-21(3-1)25-24(28-23)14-20(15-27-25)22-13-17(9-10-26-22)12-19-11-16-5-7-18(19)8-6-16;1-16-8-10-21-20-11-9-17(14-23(20)28-24(21)27-16)22-15-19(12-13-26-22)25(2,3)18-6-4-5-7-18;1-16-9-8-12-19(13-16)22-17(2)20(14-18-10-6-7-11-18)21(15-24-22)23(3,4)5;1-4-22(3,5-2)16-10-11-23-18(13-16)15-12-20-21(24-14-15)17-8-6-7-9-19(17)25-20;2*1-21(2,3)19-15-22-20(17-11-5-4-6-12-17)14-18(19)13-16-9-7-8-10-16;;;/h1-4,9-10,13,15-16,18-19H,5-8,11-12H2;8-13,15,18H,4-7H2,1-3H3;8-9,12,15,18H,6-7,10-11,14H2,1-5H3;6-11,13-14H,4-5H2,1-3H3;2*4-6,11,14-16H,7-10,13H2,1-3H3;;;/q6*-1;;;
InChIKeyUQNGOSWSFFCQCC-UHFFFAOYSA-N
MW2730.22 g/mol
LogP33.84
Rot. Bonds22

About 3-[4-(2-bicyclo[2.2.2]octanylmethyl)-2-pyridinyl]-4H-[1]benzofuro[3,2-b]pyridin-4-ide;[4-(cyclopentylmethyl)-5-methyl-6-(3-methylbenzene-2-id-1-yl)-3-pyridinyl]-trimethylgermane;bis([4-(cyclopentylmethyl)-6-phenyl-3-pyridinyl]-trimethylgermane);7-[4-(2-cyclopentylpropan-2-yl)-2-pyridinyl]-2-methyl-8H-[1]benzofuro[2,3-b]pyridin-8-ide;tris(iridium);3-[4-(3-methylpentan-3-yl)-2-pyridinyl]-4H-[1]benzofuro[3,2-b]pyridin-4-ide

3-[4-(2-bicyclo[2.2.2]octanylmethyl)-2-pyridinyl]-4H-[1]benzofuro[3,2-b]pyridin-4-ide;[4-(cyclopentylmethyl)-5-methyl-6-(3-methylbenzene-2-id-1-yl)-3-pyridinyl]-trimethylgermane;bis([4-(cyclopentylmethyl)-6-phenyl-3-pyridinyl]-trimethylgermane);7-[4-(2-cyclopentylpropan-2-yl)-2-pyridinyl]-2-methyl-8H-[1]benzofuro[2,3-b]pyridin-8-ide;tris(iridium);3-[4-(3-methylpentan-3-yl)-2-pyridinyl]-4H-[1]benzofuro[3,2-b]pyridin-4-ide (PubChem CID 163665380) has the molecular formula C134H151Ge3Ir3N9O3-6 and a molecular weight of 2730.22 g/mol. Its IUPAC name is 3-[4-(2-bicyclo[2.2.2]octanylmethyl)-2-pyridinyl]-4H-[1]benzofuro[3,2-b]pyridin-4-ide;[4-(cyclopentylmethyl)-5-methyl-6-(3-methylbenzene-2-id-1-yl)-3-pyridinyl]-trimethylgermane;bis([4-(cyclopentylmethyl)-6-phenyl-3-pyridinyl]-trimethylgermane);7-[4-(2-cyclopentylpropan-2-yl)-2-pyridinyl]-2-methyl-8H-[1]benzofuro[2,3-b]pyridin-8-ide;tris(iridium);3-[4-(3-methylpentan-3-yl)-2-pyridinyl]-4H-[1]benzofuro[3,2-b]pyridin-4-ide.

Molecular Properties

Compound Name3-[4-(2-bicyclo[2.2.2]octanylmethyl)-2-pyridinyl]-4H-[1]benzofuro[3,2-b]pyridin-4-ide;[4-(cyclopentylmethyl)-5-methyl-6-(3-methylbenzene-2-id-1-yl)-3-pyridinyl]-trimethylgermane;bis([4-(cyclopentylmethyl)-6-phenyl-3-pyridinyl]-trimethylgermane);7-[4-(2-cyclopentylpropan-2-yl)-2-pyridinyl]-2-methyl-8H-[1]benzofuro[2,3-b]pyridin-8-ide;tris(iridium);3-[4-(3-methylpentan-3-yl)-2-pyridinyl]-4H-[1]benzofuro[3,2-b]pyridin-4-ide
PubChem CID163665380
Molecular FormulaC134H151Ge3Ir3N9O3-6
Molecular Weight2730.22 g/mol
Exact Mass2734.85
IUPAC Name3-[4-(2-bicyclo[2.2.2]octanylmethyl)-2-pyridinyl]-4H-[1]benzofuro[3,2-b]pyridin-4-ide;[4-(cyclopentylmethyl)-5-methyl-6-(3-methylbenzene-2-id-1-yl)-3-pyridinyl]-trimethylgermane;bis([4-(cyclopentylmethyl)-6-phenyl-3-pyridinyl]-trimethylgermane);7-[4-(2-cyclopentylpropan-2-yl)-2-pyridinyl]-2-methyl-8H-[1]benzofuro[2,3-b]pyridin-8-ide;tris(iridium);3-[4-(3-methylpentan-3-yl)-2-pyridinyl]-4H-[1]benzofuro[3,2-b]pyridin-4-ide
SMILESCCC(C)(CC)c1ccnc(-c2[c-]c3oc4ccccc4c3nc2)c1.C[Ge](C)(C)c1cnc(-c2[c-]cccc2)cc1CC1CCCC1.C[Ge](C)(C)c1cnc(-c2[c-]cccc2)cc1CC1CCCC1.Cc1[c-]c(-c2ncc([Ge](C)(C)C)c(CC3CCCC3)c2C)ccc1.Cc1ccc2c(n1)oc1[c-]c(-c3cc(C(C)(C)C4CCCC4)ccn3)ccc12.[Ir].[Ir].[Ir].[c-]1c(-c2cc(CC3CC4CCC3CC4)ccn2)cnc2c1oc1ccccc12
InChIInChI=1S/C25H23N2O.C25H25N2O.C22H30GeN.C22H21N2O.2C20H26GeN.3Ir/c1-2-4-23-21(3-1)25-24(28-23)14-20(15-27-25)22-13-17(9-10-26-22)12-19-11-16-5-7-18(19)8-6-16;1-16-8-10-21-20-11-9-17(14-23(20)28-24(21)27-16)22-15-19(12-13-26-22)25(2,3)18-6-4-5-7-18;1-16-9-8-12-19(13-16)22-17(2)20(14-18-10-6-7-11-18)21(15-24-22)23(3,4)5;1-4-22(3,5-2)16-10-11-23-18(13-16)15-12-20-21(24-14-15)17-8-6-7-9-19(17)25-20;2*1-21(2,3)19-15-22-20(17-11-5-4-6-12-17)14-18(19)13-16-9-7-8-10-16;;;/h1-4,9-10,13,15-16,18-19H,5-8,11-12H2;8-13,15,18H,4-7H2,1-3H3;8-9,12,15,18H,6-7,10-11,14H2,1-5H3;6-11,13-14H,4-5H2,1-3H3;2*4-6,11,14-16H,7-10,13H2,1-3H3;;;/q6*-1;;;
InChIKeyUQNGOSWSFFCQCC-UHFFFAOYSA-N
XLogP33.84
TPSA155.43 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds22
Heavy Atoms152
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002730.22
LogP ≤ 533.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 3-[4-(2-bicyclo[2.2.2]octanylmethyl)-2-pyridinyl]-4H-[1]benzofuro[3,2-b]pyridin-4-ide;[4-(cyclopentylmethyl)-5-methyl-6-(3-methylbenzene-2-id-1-yl)-3-pyridinyl]-trimethylgermane;bis([4-(cyclopentylmethyl)-6-phenyl-3-pyridinyl]-trimethylgermane);7-[4-(2-cyclopentylpropan-2-yl)-2-pyridinyl]-2-methyl-8H-[1]benzofuro[2,3-b]pyridin-8-ide;tris(iridium);3-[4-(3-methylpentan-3-yl)-2-pyridinyl]-4H-[1]benzofuro[3,2-b]pyridin-4-ide 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 3-[4-(2-bicyclo[2.2.2]octanylmethyl)-2-pyridinyl]-4H-[1]benzofuro[3,2-b]pyridin-4-ide;[4-(cyclopentylmethyl)-5-methyl-6-(3-methylbenzene-2-id-1-yl)-3-pyridinyl]-trimethylgermane;bis([4-(cyclopentylmethyl)-6-phenyl-3-pyridinyl]-trimethylgermane);7-[4-(2-cyclopentylpropan-2-yl)-2-pyridinyl]-2-methyl-8H-[1]benzofuro[2,3-b]pyridin-8-ide;tris(iridium);3-[4-(3-methylpentan-3-yl)-2-pyridinyl]-4H-[1]benzofuro[3,2-b]pyridin-4-ide?
The IUPAC name of 3-[4-(2-bicyclo[2.2.2]octanylmethyl)-2-pyridinyl]-4H-[1]benzofuro[3,2-b]pyridin-4-ide;[4-(cyclopentylmethyl)-5-methyl-6-(3-methylbenzene-2-id-1-yl)-3-pyridinyl]-trimethylgermane;bis([4-(cyclopentylmethyl)-6-phenyl-3-pyridinyl]-trimethylgermane);7-[4-(2-cyclopentylpropan-2-yl)-2-pyridinyl]-2-methyl-8H-[1]benzofuro[2,3-b]pyridin-8-ide;tris(iridium);3-[4-(3-methylpentan-3-yl)-2-pyridinyl]-4H-[1]benzofuro[3,2-b]pyridin-4-ide (CID 163665380) is 3-[4-(2-bicyclo[2.2.2]octanylmethyl)-2-pyridinyl]-4H-[1]benzofuro[3,2-b]pyridin-4-ide;[4-(cyclopentylmethyl)-5-methyl-6-(3-methylbenzene-2-id-1-yl)-3-pyridinyl]-trimethylgermane;bis([4-(cyclopentylmethyl)-6-phenyl-3-pyridinyl]-trimethylgermane);7-[4-(2-cyclopentylpropan-2-yl)-2-pyridinyl]-2-methyl-8H-[1]benzofuro[2,3-b]pyridin-8-ide;tris(iridium);3-[4-(3-methylpentan-3-yl)-2-pyridinyl]-4H-[1]benzofuro[3,2-b]pyridin-4-ide.
What is the SMILES notation for 3-[4-(2-bicyclo[2.2.2]octanylmethyl)-2-pyridinyl]-4H-[1]benzofuro[3,2-b]pyridin-4-ide;[4-(cyclopentylmethyl)-5-methyl-6-(3-methylbenzene-2-id-1-yl)-3-pyridinyl]-trimethylgermane;bis([4-(cyclopentylmethyl)-6-phenyl-3-pyridinyl]-trimethylgermane);7-[4-(2-cyclopentylpropan-2-yl)-2-pyridinyl]-2-methyl-8H-[1]benzofuro[2,3-b]pyridin-8-ide;tris(iridium);3-[4-(3-methylpentan-3-yl)-2-pyridinyl]-4H-[1]benzofuro[3,2-b]pyridin-4-ide?
The canonical SMILES for 3-[4-(2-bicyclo[2.2.2]octanylmethyl)-2-pyridinyl]-4H-[1]benzofuro[3,2-b]pyridin-4-ide;[4-(cyclopentylmethyl)-5-methyl-6-(3-methylbenzene-2-id-1-yl)-3-pyridinyl]-trimethylgermane;bis([4-(cyclopentylmethyl)-6-phenyl-3-pyridinyl]-trimethylgermane);7-[4-(2-cyclopentylpropan-2-yl)-2-pyridinyl]-2-methyl-8H-[1]benzofuro[2,3-b]pyridin-8-ide;tris(iridium);3-[4-(3-methylpentan-3-yl)-2-pyridinyl]-4H-[1]benzofuro[3,2-b]pyridin-4-ide is CCC(C)(CC)c1ccnc(-c2[c-]c3oc4ccccc4c3nc2)c1.C[Ge](C)(C)c1cnc(-c2[c-]cccc2)cc1CC1CCCC1.C[Ge](C)(C)c1cnc(-c2[c-]cccc2)cc1CC1CCCC1.Cc1[c-]c(-c2ncc([Ge](C)(C)C)c(CC3CCCC3)c2C)ccc1.Cc1ccc2c(n1)oc1[c-]c(-c3cc(C(C)(C)C4CCCC4)ccn3)ccc12.[Ir].[Ir].[Ir].[c-]1c(-c2cc(CC3CC4CCC3CC4)ccn2)cnc2c1oc1ccccc12.
What is the InChIKey of 3-[4-(2-bicyclo[2.2.2]octanylmethyl)-2-pyridinyl]-4H-[1]benzofuro[3,2-b]pyridin-4-ide;[4-(cyclopentylmethyl)-5-methyl-6-(3-methylbenzene-2-id-1-yl)-3-pyridinyl]-trimethylgermane;bis([4-(cyclopentylmethyl)-6-phenyl-3-pyridinyl]-trimethylgermane);7-[4-(2-cyclopentylpropan-2-yl)-2-pyridinyl]-2-methyl-8H-[1]benzofuro[2,3-b]pyridin-8-ide;tris(iridium);3-[4-(3-methylpentan-3-yl)-2-pyridinyl]-4H-[1]benzofuro[3,2-b]pyridin-4-ide?
The InChIKey is UQNGOSWSFFCQCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N2O.C25H25N2O.C22H30GeN.C22H21N2O.2C20H26GeN.3Ir/c1-2-4-23-21(3-1)25-24(28-23)14-20(15-27-25)22-13-17(9-10-26-22)12-19-11-16-5-7-18(19)8-6-16;1-16-8-10-21-20-11-9-17(14-23(20)28-24(21)27-16)22-15-19(12-13-26-22)25(2,3)18-6-4-5-7-18;1-16-9-8-12-19(13-16)22-17(2)20(14-18-10-6-7-11-18)21(15-24-22)23(3,4)5;1-4-22(3,5-2)16-10-11-23-18(13-16)15-12-20-21(24-14-15)17-8-6-7-9-19(17)25-20;2*1-21(2,3)19-15-22-20(17-11-5-4-6-12-17)14-18(19)13-16-9-7-8-10-16;;;/h1-4,9-10,13,15-16,18-19H,5-8,11-12H2;8-13,15,18H,4-7H2,1-3H3;8-9,12,15,18H,6-7,10-11,14H2,1-5H3;6-11,13-14H,4-5H2,1-3H3;2*4-6,11,14-16H,7-10,13H2,1-3H3;;;/q6*-1;;;.
What are the key properties of 3-[4-(2-bicyclo[2.2.2]octanylmethyl)-2-pyridinyl]-4H-[1]benzofuro[3,2-b]pyridin-4-ide;[4-(cyclopentylmethyl)-5-methyl-6-(3-methylbenzene-2-id-1-yl)-3-pyridinyl]-trimethylgermane;bis([4-(cyclopentylmethyl)-6-phenyl-3-pyridinyl]-trimethylgermane);7-[4-(2-cyclopentylpropan-2-yl)-2-pyridinyl]-2-methyl-8H-[1]benzofuro[2,3-b]pyridin-8-ide;tris(iridium);3-[4-(3-methylpentan-3-yl)-2-pyridinyl]-4H-[1]benzofuro[3,2-b]pyridin-4-ide?
3-[4-(2-bicyclo[2.2.2]octanylmethyl)-2-pyridinyl]-4H-[1]benzofuro[3,2-b]pyridin-4-ide;[4-(cyclopentylmethyl)-5-methyl-6-(3-methylbenzene-2-id-1-yl)-3-pyridinyl]-trimethylgermane;bis([4-(cyclopentylmethyl)-6-phenyl-3-pyridinyl]-trimethylgermane);7-[4-(2-cyclopentylpropan-2-yl)-2-pyridinyl]-2-methyl-8H-[1]benzofuro[2,3-b]pyridin-8-ide;tris(iridium);3-[4-(3-methylpentan-3-yl)-2-pyridinyl]-4H-[1]benzofuro[3,2-b]pyridin-4-ide has a molecular weight of 2730.22 g/mol, XLogP of 33.84, 22 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-bicyclo[2.2.2]octanylmethyl)-2-pyridinyl]-4H-[1]benzofuro[3,2-b]pyridin-4-ide;[4-(cyclopentylmethyl)-5-methyl-6-(3-methylbenzene-2-id-1-yl)-3-pyridinyl]-trimethylgermane;bis([4-(cyclopentylmethyl)-6-phenyl-3-pyridinyl]-trimethylgermane);7-[4-(2-cyclopentylpropan-2-yl)-2-pyridinyl]-2-methyl-8H-[1]benzofuro[2,3-b]pyridin-8-ide;tris(iridium);3-[4-(3-methylpentan-3-yl)-2-pyridinyl]-4H-[1]benzofuro[3,2-b]pyridin-4-ide is sourced from PubChem (CID 163665380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).