1-[3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]phenyl]-N,N-dimethylpyrrolidine-3-carboxamide;tert-butyl N-[1-[4-[2-(2-amino-3-pyridinyl)-5-[3-[3-(dimethylcarbamoyl)pyrrolidin-1-yl]phenyl]imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]carbamate;trihydrochloride

C73H83Cl3N16O4 — CID 160751030

About 1-[3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]phenyl]-N,N-dimethylpyrrolidine-3-carboxamide;tert-butyl N-[1-[4-[2-(2-amino-3-pyridinyl)-5-[3-[3-(dimethylcarbamoyl)pyrrolidin-1-yl]phenyl]imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]carbamate;trihydrochloride

1-[3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]phenyl]-N,N-dimethylpyrrolidine-3-carboxamide;tert-butyl N-[1-[4-[2-(2-amino-3-pyridinyl)-5-[3-[3-(dimethylcarbamoyl)pyrrolidin-1-yl]phenyl]imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]carbamate;trihydrochloride (PubChem CID 160751030) has the molecular formula C73H83Cl3N16O4 and a molecular weight of 1354.93 g/mol. Its IUPAC name is 1-[3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]phenyl]-N,N-dimethylpyrrolidine-3-carboxamide;tert-butyl N-[1-[4-[2-(2-amino-3-pyridinyl)-5-[3-[3-(dimethylcarbamoyl)pyrrolidin-1-yl]phenyl]imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]carbamate;trihydrochloride.

Molecular Properties

• Compound Name: 1-[3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]phenyl]-N,N-dimethylpyrrolidine-3-carboxamide;tert-butyl N-[1-[4-[2-(2-amino-3-pyridinyl)-5-[3-[3-(dimethylcarbamoyl)pyrrolidin-1-yl]phenyl]imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]carbamate;trihydrochloride
• PubChem CID: 160751030
• Molecular Formula: C73H83Cl3N16O4
• Molecular Weight: 1354.93 g/mol
• Exact Mass: 1352.58
• IUPAC Name: 1-[3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]phenyl]-N,N-dimethylpyrrolidine-3-carboxamide;tert-butyl N-[1-[4-[2-(2-amino-3-pyridinyl)-5-[3-[3-(dimethylcarbamoyl)pyrrolidin-1-yl]phenyl]imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]carbamate;trihydrochloride
• SMILES: CN(C)C(=O)C1CCN(c2cccc(-c3ccc4nc(-c5cccnc5N)n(-c5ccc(C6(N)CCC6)cc5)c4n3)c2)C1.CN(C)C(=O)C1CCN(c2cccc(-c3ccc4nc(-c5cccnc5N)n(-c5ccc(C6(NC(=O)OC(C)(C)C)CCC6)cc5)c4n3)c2)C1.Cl.Cl.Cl
• InChI: InChI=1S/C39H44N8O3.C34H36N8O.3ClH/c1-38(2,3)50-37(49)44-39(19-8-20-39)27-12-14-28(15-13-27)47-34(30-11-7-21-41-33(30)40)43-32-17-16-31(42-35(32)47)25-9-6-10-29(23-25)46-22-18-26(24-46)36(48)45(4)5;1-40(2)33(43)23-15-19-41(21-23)26-7-3-6-22(20-26)28-13-14-29-32(38-28)42(31(39-29)27-8-4-18-37-30(27)35)25-11-9-24(10-12-25)34(36)16-5-17-34;;;/h6-7,9-17,21,23,26H,8,18-20,22,24H2,1-5H3,(H2,40,41)(H,44,49);3-4,6-14,18,20,23H,5,15-17,19,21,36H2,1-2H3,(H2,35,37);3*1H
• InChIKey: NOSYUTPMPOHNTR-UHFFFAOYSA-N
• XLogP: 12.80
• TPSA: 250.69 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 17
• Rotatable Bonds: 13
• Heavy Atoms: 96
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1354.93
LogP ≤ 5	12.80
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of 1-[3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]phenyl]-N,N-dimethylpyrrolidine-3-carboxamide;tert-butyl N-[1-[4-[2-(2-amino-3-pyridinyl)-5-[3-[3-(dimethylcarbamoyl)pyrrolidin-1-yl]phenyl]imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]carbamate;trihydrochloride?

The IUPAC name of 1-[3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]phenyl]-N,N-dimethylpyrrolidine-3-carboxamide;tert-butyl N-[1-[4-[2-(2-amino-3-pyridinyl)-5-[3-[3-(dimethylcarbamoyl)pyrrolidin-1-yl]phenyl]imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]carbamate;trihydrochloride (CID 160751030) is 1-[3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]phenyl]-N,N-dimethylpyrrolidine-3-carboxamide;tert-butyl N-[1-[4-[2-(2-amino-3-pyridinyl)-5-[3-[3-(dimethylcarbamoyl)pyrrolidin-1-yl]phenyl]imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]carbamate;trihydrochloride.

What is the SMILES notation for 1-[3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]phenyl]-N,N-dimethylpyrrolidine-3-carboxamide;tert-butyl N-[1-[4-[2-(2-amino-3-pyridinyl)-5-[3-[3-(dimethylcarbamoyl)pyrrolidin-1-yl]phenyl]imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]carbamate;trihydrochloride?

The canonical SMILES for 1-[3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]phenyl]-N,N-dimethylpyrrolidine-3-carboxamide;tert-butyl N-[1-[4-[2-(2-amino-3-pyridinyl)-5-[3-[3-(dimethylcarbamoyl)pyrrolidin-1-yl]phenyl]imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]carbamate;trihydrochloride is CN(C)C(=O)C1CCN(c2cccc(-c3ccc4nc(-c5cccnc5N)n(-c5ccc(C6(N)CCC6)cc5)c4n3)c2)C1.CN(C)C(=O)C1CCN(c2cccc(-c3ccc4nc(-c5cccnc5N)n(-c5ccc(C6(NC(=O)OC(C)(C)C)CCC6)cc5)c4n3)c2)C1.Cl.Cl.Cl.

What is the InChIKey of 1-[3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]phenyl]-N,N-dimethylpyrrolidine-3-carboxamide;tert-butyl N-[1-[4-[2-(2-amino-3-pyridinyl)-5-[3-[3-(dimethylcarbamoyl)pyrrolidin-1-yl]phenyl]imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]carbamate;trihydrochloride?

The InChIKey is NOSYUTPMPOHNTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H44N8O3.C34H36N8O.3ClH/c1-38(2,3)50-37(49)44-39(19-8-20-39)27-12-14-28(15-13-27)47-34(30-11-7-21-41-33(30)40)43-32-17-16-31(42-35(32)47)25-9-6-10-29(23-25)46-22-18-26(24-46)36(48)45(4)5;1-40(2)33(43)23-15-19-41(21-23)26-7-3-6-22(20-26)28-13-14-29-32(38-28)42(31(39-29)27-8-4-18-37-30(27)35)25-11-9-24(10-12-25)34(36)16-5-17-34;;;/h6-7,9-17,21,23,26H,8,18-20,22,24H2,1-5H3,(H2,40,41)(H,44,49);3-4,6-14,18,20,23H,5,15-17,19,21,36H2,1-2H3,(H2,35,37);3*1H.

What are the key properties of 1-[3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]phenyl]-N,N-dimethylpyrrolidine-3-carboxamide;tert-butyl N-[1-[4-[2-(2-amino-3-pyridinyl)-5-[3-[3-(dimethylcarbamoyl)pyrrolidin-1-yl]phenyl]imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]carbamate;trihydrochloride?

1-[3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]phenyl]-N,N-dimethylpyrrolidine-3-carboxamide;tert-butyl N-[1-[4-[2-(2-amino-3-pyridinyl)-5-[3-[3-(dimethylcarbamoyl)pyrrolidin-1-yl]phenyl]imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]carbamate;trihydrochloride has a molecular weight of 1354.93 g/mol, XLogP of 12.80, 13 rotatable bonds, 4 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]phenyl]-N,N-dimethylpyrrolidine-3-carboxamide;tert-butyl N-[1-[4-[2-(2-amino-3-pyridinyl)-5-[3-[3-(dimethylcarbamoyl)pyrrolidin-1-yl]phenyl]imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]carbamate;trihydrochloride is sourced from PubChem (CID 160751030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).