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

C78H99BrN14O4 — CID 160679619

IUPAC6-(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
SMILESCC(C)n1cnc2cc(-c3ccc4c(c3)N(C3CC(N5CCCCC5)C3)C(=O)C4(C)C)nc(N)c21.Cc1ccc(Br)cc1C(=O)NC(C)C.Cc1ccc(Nc2nc(-c3ccc4c(c3)N(C3CC(N5CCCCC5)C3)C(=O)C4(C)C)cc3ncn(C(C)C)c23)cc1C(=O)NC(C)C
InChIInChI=1S/C39H49N7O2.C28H36N6O.C11H14BrNO/c1-23(2)41-37(47)30-18-27(13-11-25(30)5)42-36-35-33(40-22-45(35)24(3)4)21-32(43-36)26-12-14-31-34(17-26)46(38(48)39(31,6)7)29-19-28(20-29)44-15-9-8-10-16-44;1-17(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;1-7(2)13-11(14)10-6-9(12)5-4-8(10)3/h11-14,17-18,21-24,28-29H,8-10,15-16,19-20H2,1-7H3,(H,41,47)(H,42,43);8-9,12,15-17,19-20H,5-7,10-11,13-14H2,1-4H3,(H2,29,31);4-7H,1-3H3,(H,13,14)
InChIKeyRNYUPOQQSUMELJ-UHFFFAOYSA-N
MW1376.65 g/mol
LogP15.31
Rot. Bonds14

About 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

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 (PubChem CID 160679619) has the molecular formula C78H99BrN14O4 and a molecular weight of 1376.65 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-(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
PubChem CID160679619
Molecular FormulaC78H99BrN14O4
Molecular Weight1376.65 g/mol
Exact Mass1374.72
IUPAC Name6-(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
SMILESCC(C)n1cnc2cc(-c3ccc4c(c3)N(C3CC(N5CCCCC5)C3)C(=O)C4(C)C)nc(N)c21.Cc1ccc(Br)cc1C(=O)NC(C)C.Cc1ccc(Nc2nc(-c3ccc4c(c3)N(C3CC(N5CCCCC5)C3)C(=O)C4(C)C)cc3ncn(C(C)C)c23)cc1C(=O)NC(C)C
InChIInChI=1S/C39H49N7O2.C28H36N6O.C11H14BrNO/c1-23(2)41-37(47)30-18-27(13-11-25(30)5)42-36-35-33(40-22-45(35)24(3)4)21-32(43-36)26-12-14-31-34(17-26)46(38(48)39(31,6)7)29-19-28(20-29)44-15-9-8-10-16-44;1-17(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;1-7(2)13-11(14)10-6-9(12)5-4-8(10)3/h11-14,17-18,21-24,28-29H,8-10,15-16,19-20H2,1-7H3,(H,41,47)(H,42,43);8-9,12,15-17,19-20H,5-7,10-11,13-14H2,1-4H3,(H2,29,31);4-7H,1-3H3,(H,13,14)
InChIKeyRNYUPOQQSUMELJ-UHFFFAOYSA-N
XLogP15.31
TPSA204.77 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds14
Heavy Atoms97
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001376.65
LogP ≤ 515.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)n1cnc2cc(-c3ccc4c(c3)N(C3CC(N5CCCCC5)C3)C(=O)C4(C)C)nc(N)c21.Cc1ccc(Br)cc1C(=O)NC(C)C.Cc1ccc(Nc2nc(-c3ccc4c(c3)N(C3CC(N5CCCCC5)C3)C(=O)C4(C)C)cc3ncn(C(C)C)c23)cc1C(=O)NC(C)C.
What is the InChIKey of 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?
The InChIKey is RNYUPOQQSUMELJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H49N7O2.C28H36N6O.C11H14BrNO/c1-23(2)41-37(47)30-18-27(13-11-25(30)5)42-36-35-33(40-22-45(35)24(3)4)21-32(43-36)26-12-14-31-34(17-26)46(38(48)39(31,6)7)29-19-28(20-29)44-15-9-8-10-16-44;1-17(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;1-7(2)13-11(14)10-6-9(12)5-4-8(10)3/h11-14,17-18,21-24,28-29H,8-10,15-16,19-20H2,1-7H3,(H,41,47)(H,42,43);8-9,12,15-17,19-20H,5-7,10-11,13-14H2,1-4H3,(H2,29,31);4-7H,1-3H3,(H,13,14).
What are the key properties of 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?
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 has a molecular weight of 1376.65 g/mol, XLogP of 15.31, 14 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 160679619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).