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

C62H80BBrCl2N10O4 — CID 159270933

IUPAC6-bromo-4-chloro-3-propan-2-ylimidazo[4,5-c]pyridine;6-(4-chloro-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl)-3,3-dimethyl-1-(3-piperidin-1-ylcyclobutyl)indol-2-one;3,3-dimethyl-1-(3-piperidin-1-ylcyclobutyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-2-one
SMILESCC(C)n1cnc2cc(-c3ccc4c(c3)N(C3CC(N5CCCCC5)C3)C(=O)C4(C)C)nc(Cl)c21.CC(C)n1cnc2cc(Br)nc(Cl)c21.CC1(C)C(=O)N(C2CC(N3CCCCC3)C2)c2cc(B3OC(C)(C)C(C)(C)O3)ccc21
InChIInChI=1S/C28H34ClN5O.C25H37BN2O3.C9H9BrClN3/c1-17(2)33-16-30-23-15-22(31-26(29)25(23)33)18-8-9-21-24(12-18)34(27(35)28(21,3)4)20-13-19(14-20)32-10-6-5-7-11-32;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;1-5(2)14-4-12-6-3-7(10)13-9(11)8(6)14/h8-9,12,15-17,19-20H,5-7,10-11,13-14H2,1-4H3;10-11,14,18-19H,7-9,12-13,15-16H2,1-6H3;3-5H,1-2H3
InChIKeyKXRZTBOFUMTRRT-UHFFFAOYSA-N
MW1191.01 g/mol
LogP13.03
Rot. Bonds8

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

6-bromo-4-chloro-3-propan-2-ylimidazo[4,5-c]pyridine;6-(4-chloro-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl)-3,3-dimethyl-1-(3-piperidin-1-ylcyclobutyl)indol-2-one;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 159270933) has the molecular formula C62H80BBrCl2N10O4 and a molecular weight of 1191.01 g/mol. Its IUPAC name is 6-bromo-4-chloro-3-propan-2-ylimidazo[4,5-c]pyridine;6-(4-chloro-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl)-3,3-dimethyl-1-(3-piperidin-1-ylcyclobutyl)indol-2-one;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 Name6-bromo-4-chloro-3-propan-2-ylimidazo[4,5-c]pyridine;6-(4-chloro-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl)-3,3-dimethyl-1-(3-piperidin-1-ylcyclobutyl)indol-2-one;3,3-dimethyl-1-(3-piperidin-1-ylcyclobutyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-2-one
PubChem CID159270933
Molecular FormulaC62H80BBrCl2N10O4
Molecular Weight1191.01 g/mol
Exact Mass1188.50
IUPAC Name6-bromo-4-chloro-3-propan-2-ylimidazo[4,5-c]pyridine;6-(4-chloro-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl)-3,3-dimethyl-1-(3-piperidin-1-ylcyclobutyl)indol-2-one;3,3-dimethyl-1-(3-piperidin-1-ylcyclobutyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-2-one
SMILESCC(C)n1cnc2cc(-c3ccc4c(c3)N(C3CC(N5CCCCC5)C3)C(=O)C4(C)C)nc(Cl)c21.CC(C)n1cnc2cc(Br)nc(Cl)c21.CC1(C)C(=O)N(C2CC(N3CCCCC3)C2)c2cc(B3OC(C)(C)C(C)(C)O3)ccc21
InChIInChI=1S/C28H34ClN5O.C25H37BN2O3.C9H9BrClN3/c1-17(2)33-16-30-23-15-22(31-26(29)25(23)33)18-8-9-21-24(12-18)34(27(35)28(21,3)4)20-13-19(14-20)32-10-6-5-7-11-32;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;1-5(2)14-4-12-6-3-7(10)13-9(11)8(6)14/h8-9,12,15-17,19-20H,5-7,10-11,13-14H2,1-4H3;10-11,14,18-19H,7-9,12-13,15-16H2,1-6H3;3-5H,1-2H3
InChIKeyKXRZTBOFUMTRRT-UHFFFAOYSA-N
XLogP13.03
TPSA126.98 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms80
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001191.01
LogP ≤ 513.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 6-bromo-4-chloro-3-propan-2-ylimidazo[4,5-c]pyridine;6-(4-chloro-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl)-3,3-dimethyl-1-(3-piperidin-1-ylcyclobutyl)indol-2-one;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

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Related Compounds

1'-acetyl-6-(4-chloro-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl)-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-2-one
CID 146592366
6-(4-chloro-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl)-1'-[(2R)-2-hydroxypropanoyl]-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-2-one
CID 146592452
6-(4-chloro-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl)-3,3-dimethyl-1-[3-(2-methylpropylamino)cyclobutyl]indol-2-one
CID 146592441
6-(4-amino-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl)-3,3-dimethyl-1-(3-piperidin-1-ylcyclobutyl)indol-2-one;5-bromo-2-methyl-N-propan-2-ylbenzamide;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]-2-methyl-N-propan-2-ylbenzamide
CID 160679619
6-[4-(cyclopropylamino)-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-2-one
CID 168881709
(3S)-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-3-hydroxy-3-methyl-1-(3-piperidin-1-ylcyclobutyl)indol-2-one
CID 146639935
1-[3-(3,3-dimethylpiperidin-1-yl)cyclobutyl]-3,3-dimethyl-6-[4-[(1-methyl-6-oxo-3-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]indol-2-one
CID 146640237
6-[4-(cyclopropylamino)-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-2-oxo-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-1'-carbaldehyde
CID 168881754
6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-3,3-dimethyl-1-[3-[(3R)-3-methylpiperidin-1-yl]cyclobutyl]indol-2-one
CID 146640070
1'-acetyl-1-(3-piperidin-1-ylcyclobutyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[indole-3,4'-piperidine]-2-one
CID 149445666
2-[6-[4-(cyclopropylamino)-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-2-oxo-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-1'-yl]propanoic acid
CID 168882117
tert-butyl 6-(4-chloro-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl)-2-oxo-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-1'-carboxylate;6-[4-(2-fluoroanilino)-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-2-one
CID 175902699

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-chloro-3-propan-2-ylimidazo[4,5-c]pyridine;6-(4-chloro-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl)-3,3-dimethyl-1-(3-piperidin-1-ylcyclobutyl)indol-2-one;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 6-bromo-4-chloro-3-propan-2-ylimidazo[4,5-c]pyridine;6-(4-chloro-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl)-3,3-dimethyl-1-(3-piperidin-1-ylcyclobutyl)indol-2-one;3,3-dimethyl-1-(3-piperidin-1-ylcyclobutyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-2-one (CID 159270933) is 6-bromo-4-chloro-3-propan-2-ylimidazo[4,5-c]pyridine;6-(4-chloro-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl)-3,3-dimethyl-1-(3-piperidin-1-ylcyclobutyl)indol-2-one;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 6-bromo-4-chloro-3-propan-2-ylimidazo[4,5-c]pyridine;6-(4-chloro-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl)-3,3-dimethyl-1-(3-piperidin-1-ylcyclobutyl)indol-2-one;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 6-bromo-4-chloro-3-propan-2-ylimidazo[4,5-c]pyridine;6-(4-chloro-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl)-3,3-dimethyl-1-(3-piperidin-1-ylcyclobutyl)indol-2-one;3,3-dimethyl-1-(3-piperidin-1-ylcyclobutyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-2-one is CC(C)n1cnc2cc(-c3ccc4c(c3)N(C3CC(N5CCCCC5)C3)C(=O)C4(C)C)nc(Cl)c21.CC(C)n1cnc2cc(Br)nc(Cl)c21.CC1(C)C(=O)N(C2CC(N3CCCCC3)C2)c2cc(B3OC(C)(C)C(C)(C)O3)ccc21.
What is the InChIKey of 6-bromo-4-chloro-3-propan-2-ylimidazo[4,5-c]pyridine;6-(4-chloro-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl)-3,3-dimethyl-1-(3-piperidin-1-ylcyclobutyl)indol-2-one;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 KXRZTBOFUMTRRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34ClN5O.C25H37BN2O3.C9H9BrClN3/c1-17(2)33-16-30-23-15-22(31-26(29)25(23)33)18-8-9-21-24(12-18)34(27(35)28(21,3)4)20-13-19(14-20)32-10-6-5-7-11-32;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;1-5(2)14-4-12-6-3-7(10)13-9(11)8(6)14/h8-9,12,15-17,19-20H,5-7,10-11,13-14H2,1-4H3;10-11,14,18-19H,7-9,12-13,15-16H2,1-6H3;3-5H,1-2H3.
What are the key properties of 6-bromo-4-chloro-3-propan-2-ylimidazo[4,5-c]pyridine;6-(4-chloro-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl)-3,3-dimethyl-1-(3-piperidin-1-ylcyclobutyl)indol-2-one;3,3-dimethyl-1-(3-piperidin-1-ylcyclobutyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-2-one?
6-bromo-4-chloro-3-propan-2-ylimidazo[4,5-c]pyridine;6-(4-chloro-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl)-3,3-dimethyl-1-(3-piperidin-1-ylcyclobutyl)indol-2-one;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 1191.01 g/mol, XLogP of 13.03, 8 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-chloro-3-propan-2-ylimidazo[4,5-c]pyridine;6-(4-chloro-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl)-3,3-dimethyl-1-(3-piperidin-1-ylcyclobutyl)indol-2-one;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 159270933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).