5-[(6-bromo-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl)amino]-N,2-dimethylbenzamide;5-[[6-[3,3-dimethyl-2-oxo-1-(3-piperidin-1-ylcyclobutyl)indol-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-N,2-dimethylbenzamide;3,3-dimethyl-1-(3-piperidin-1-ylcyclobutyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-2-one

C80H102BBrN14O6 — CID 160638464

IUPAC5-[(6-bromo-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl)amino]-N,2-dimethylbenzamide;5-[[6-[3,3-dimethyl-2-oxo-1-(3-piperidin-1-ylcyclobutyl)indol-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-N,2-dimethylbenzamide;3,3-dimethyl-1-(3-piperidin-1-ylcyclobutyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-2-one
SMILESCC1(C)C(=O)N(C2CC(N3CCCCC3)C2)c2cc(B3OC(C)(C)C(C)(C)O3)ccc21.CNC(=O)c1cc(Nc2nc(-c3ccc4c(c3)N(C3CC(N5CCCCC5)C3)C(=O)C4(C)C)cc3ncn(C(C)C)c23)ccc1C.CNC(=O)c1cc(Nc2nc(Br)cc3ncn(C(C)C)c23)ccc1C
InChIInChI=1S/C37H45N7O2.C25H37BN2O3.C18H20BrN5O/c1-22(2)43-21-39-31-20-30(41-34(33(31)43)40-25-12-10-23(3)28(17-25)35(45)38-6)24-11-13-29-32(16-24)44(36(46)37(29,4)5)27-18-26(19-27)42-14-8-7-9-15-42;1-23(2)20-11-10-17(26-30-24(3,4)25(5,6)31-26)14-21(20)28(22(23)29)19-15-18(16-19)27-12-8-7-9-13-27;1-10(2)24-9-21-14-8-15(19)23-17(16(14)24)22-12-6-5-11(3)13(7-12)18(25)20-4/h10-13,16-17,20-22,26-27H,7-9,14-15,18-19H2,1-6H3,(H,38,45)(H,40,41);10-11,14,18-19H,7-9,12-13,15-16H2,1-6H3;5-10H,1-4H3,(H,20,25)(H,22,23)
InChIKeyRIVVYORVESJCHN-UHFFFAOYSA-N
MW1446.50 g/mol
LogP14.55
Rot. Bonds14

About 5-[(6-bromo-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl)amino]-N,2-dimethylbenzamide;5-[[6-[3,3-dimethyl-2-oxo-1-(3-piperidin-1-ylcyclobutyl)indol-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-N,2-dimethylbenzamide;3,3-dimethyl-1-(3-piperidin-1-ylcyclobutyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-2-one

5-[(6-bromo-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl)amino]-N,2-dimethylbenzamide;5-[[6-[3,3-dimethyl-2-oxo-1-(3-piperidin-1-ylcyclobutyl)indol-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-N,2-dimethylbenzamide;3,3-dimethyl-1-(3-piperidin-1-ylcyclobutyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-2-one (PubChem CID 160638464) has the molecular formula C80H102BBrN14O6 and a molecular weight of 1446.50 g/mol. Its IUPAC name is 5-[(6-bromo-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl)amino]-N,2-dimethylbenzamide;5-[[6-[3,3-dimethyl-2-oxo-1-(3-piperidin-1-ylcyclobutyl)indol-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-N,2-dimethylbenzamide;3,3-dimethyl-1-(3-piperidin-1-ylcyclobutyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-2-one.

Molecular Properties

Compound Name5-[(6-bromo-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl)amino]-N,2-dimethylbenzamide;5-[[6-[3,3-dimethyl-2-oxo-1-(3-piperidin-1-ylcyclobutyl)indol-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-N,2-dimethylbenzamide;3,3-dimethyl-1-(3-piperidin-1-ylcyclobutyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-2-one
PubChem CID160638464
Molecular FormulaC80H102BBrN14O6
Molecular Weight1446.50 g/mol
Exact Mass1444.74
IUPAC Name5-[(6-bromo-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl)amino]-N,2-dimethylbenzamide;5-[[6-[3,3-dimethyl-2-oxo-1-(3-piperidin-1-ylcyclobutyl)indol-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-N,2-dimethylbenzamide;3,3-dimethyl-1-(3-piperidin-1-ylcyclobutyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-2-one
SMILESCC1(C)C(=O)N(C2CC(N3CCCCC3)C2)c2cc(B3OC(C)(C)C(C)(C)O3)ccc21.CNC(=O)c1cc(Nc2nc(-c3ccc4c(c3)N(C3CC(N5CCCCC5)C3)C(=O)C4(C)C)cc3ncn(C(C)C)c23)ccc1C.CNC(=O)c1cc(Nc2nc(Br)cc3ncn(C(C)C)c23)ccc1C
InChIInChI=1S/C37H45N7O2.C25H37BN2O3.C18H20BrN5O/c1-22(2)43-21-39-31-20-30(41-34(33(31)43)40-25-12-10-23(3)28(17-25)35(45)38-6)24-11-13-29-32(16-24)44(36(46)37(29,4)5)27-18-26(19-27)42-14-8-7-9-15-42;1-23(2)20-11-10-17(26-30-24(3,4)25(5,6)31-26)14-21(20)28(22(23)29)19-15-18(16-19)27-12-8-7-9-13-27;1-10(2)24-9-21-14-8-15(19)23-17(16(14)24)22-12-6-5-11(3)13(7-12)18(25)20-4/h10-13,16-17,20-22,26-27H,7-9,14-15,18-19H2,1-6H3,(H,38,45)(H,40,41);10-11,14,18-19H,7-9,12-13,15-16H2,1-6H3;5-10H,1-4H3,(H,20,25)(H,22,23)
InChIKeyRIVVYORVESJCHN-UHFFFAOYSA-N
XLogP14.55
TPSA209.24 Ų
H-Bond Donors4
H-Bond Acceptors16
Rotatable Bonds14
Heavy Atoms102
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001446.50
LogP ≤ 514.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 5-[(6-bromo-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl)amino]-N,2-dimethylbenzamide;5-[[6-[3,3-dimethyl-2-oxo-1-(3-piperidin-1-ylcyclobutyl)indol-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-N,2-dimethylbenzamide;3,3-dimethyl-1-(3-piperidin-1-ylcyclobutyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-2-one with MolForge

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

Launch Full Analysis

Related Compounds

US11203591, Example 74
CID 146763317
US11203591, Example 56
CID 147470122
US11203591, Example 91
CID 148340992
US11203591, Example 54
CID 148476915
US11203591, Example 60
CID 148482280
US11203591, Example 76
CID 148851829
US11203591, Example 75
CID 149467264
US11203591, Example 55
CID 152853502
US11203591, Example 53
CID 152876274
US11203591, Example 87
CID 153203193
US11203591, Example 88
CID 153203194
US11203591, Example 95
CID 153244667

Frequently Asked Questions

What is the IUPAC name of 5-[(6-bromo-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl)amino]-N,2-dimethylbenzamide;5-[[6-[3,3-dimethyl-2-oxo-1-(3-piperidin-1-ylcyclobutyl)indol-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-N,2-dimethylbenzamide;3,3-dimethyl-1-(3-piperidin-1-ylcyclobutyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-2-one?
The IUPAC name of 5-[(6-bromo-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl)amino]-N,2-dimethylbenzamide;5-[[6-[3,3-dimethyl-2-oxo-1-(3-piperidin-1-ylcyclobutyl)indol-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-N,2-dimethylbenzamide;3,3-dimethyl-1-(3-piperidin-1-ylcyclobutyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-2-one (CID 160638464) is 5-[(6-bromo-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl)amino]-N,2-dimethylbenzamide;5-[[6-[3,3-dimethyl-2-oxo-1-(3-piperidin-1-ylcyclobutyl)indol-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-N,2-dimethylbenzamide;3,3-dimethyl-1-(3-piperidin-1-ylcyclobutyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-2-one.
What is the SMILES notation for 5-[(6-bromo-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl)amino]-N,2-dimethylbenzamide;5-[[6-[3,3-dimethyl-2-oxo-1-(3-piperidin-1-ylcyclobutyl)indol-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-N,2-dimethylbenzamide;3,3-dimethyl-1-(3-piperidin-1-ylcyclobutyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-2-one?
The canonical SMILES for 5-[(6-bromo-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl)amino]-N,2-dimethylbenzamide;5-[[6-[3,3-dimethyl-2-oxo-1-(3-piperidin-1-ylcyclobutyl)indol-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-N,2-dimethylbenzamide;3,3-dimethyl-1-(3-piperidin-1-ylcyclobutyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-2-one is CC1(C)C(=O)N(C2CC(N3CCCCC3)C2)c2cc(B3OC(C)(C)C(C)(C)O3)ccc21.CNC(=O)c1cc(Nc2nc(-c3ccc4c(c3)N(C3CC(N5CCCCC5)C3)C(=O)C4(C)C)cc3ncn(C(C)C)c23)ccc1C.CNC(=O)c1cc(Nc2nc(Br)cc3ncn(C(C)C)c23)ccc1C.
What is the InChIKey of 5-[(6-bromo-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl)amino]-N,2-dimethylbenzamide;5-[[6-[3,3-dimethyl-2-oxo-1-(3-piperidin-1-ylcyclobutyl)indol-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-N,2-dimethylbenzamide;3,3-dimethyl-1-(3-piperidin-1-ylcyclobutyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-2-one?
The InChIKey is RIVVYORVESJCHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H45N7O2.C25H37BN2O3.C18H20BrN5O/c1-22(2)43-21-39-31-20-30(41-34(33(31)43)40-25-12-10-23(3)28(17-25)35(45)38-6)24-11-13-29-32(16-24)44(36(46)37(29,4)5)27-18-26(19-27)42-14-8-7-9-15-42;1-23(2)20-11-10-17(26-30-24(3,4)25(5,6)31-26)14-21(20)28(22(23)29)19-15-18(16-19)27-12-8-7-9-13-27;1-10(2)24-9-21-14-8-15(19)23-17(16(14)24)22-12-6-5-11(3)13(7-12)18(25)20-4/h10-13,16-17,20-22,26-27H,7-9,14-15,18-19H2,1-6H3,(H,38,45)(H,40,41);10-11,14,18-19H,7-9,12-13,15-16H2,1-6H3;5-10H,1-4H3,(H,20,25)(H,22,23).
What are the key properties of 5-[(6-bromo-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl)amino]-N,2-dimethylbenzamide;5-[[6-[3,3-dimethyl-2-oxo-1-(3-piperidin-1-ylcyclobutyl)indol-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-N,2-dimethylbenzamide;3,3-dimethyl-1-(3-piperidin-1-ylcyclobutyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-2-one?
5-[(6-bromo-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl)amino]-N,2-dimethylbenzamide;5-[[6-[3,3-dimethyl-2-oxo-1-(3-piperidin-1-ylcyclobutyl)indol-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-N,2-dimethylbenzamide;3,3-dimethyl-1-(3-piperidin-1-ylcyclobutyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-2-one has a molecular weight of 1446.50 g/mol, XLogP of 14.55, 14 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6-bromo-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl)amino]-N,2-dimethylbenzamide;5-[[6-[3,3-dimethyl-2-oxo-1-(3-piperidin-1-ylcyclobutyl)indol-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-N,2-dimethylbenzamide;3,3-dimethyl-1-(3-piperidin-1-ylcyclobutyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-2-one is sourced from PubChem (CID 160638464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).