N-[3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]phenyl]-2-hydroxy-2-methylpropanamide;tert-butyl N-[1-[4-[2-(2-amino-3-pyridinyl)-5-[3-[(2-hydroxy-2-methylpropanoyl)amino]phenyl]imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]carbamate;hydrochloride

C67H71ClN14O6 — CID 157288533

About N-[3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]phenyl]-2-hydroxy-2-methylpropanamide;tert-butyl N-[1-[4-[2-(2-amino-3-pyridinyl)-5-[3-[(2-hydroxy-2-methylpropanoyl)amino]phenyl]imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]carbamate;hydrochloride

N-[3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]phenyl]-2-hydroxy-2-methylpropanamide;tert-butyl N-[1-[4-[2-(2-amino-3-pyridinyl)-5-[3-[(2-hydroxy-2-methylpropanoyl)amino]phenyl]imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]carbamate;hydrochloride (PubChem CID 157288533) has the molecular formula C67H71ClN14O6 and a molecular weight of 1203.85 g/mol. Its IUPAC name is N-[3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]phenyl]-2-hydroxy-2-methylpropanamide;tert-butyl N-[1-[4-[2-(2-amino-3-pyridinyl)-5-[3-[(2-hydroxy-2-methylpropanoyl)amino]phenyl]imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]carbamate;hydrochloride.

Molecular Properties

• Compound Name: N-[3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]phenyl]-2-hydroxy-2-methylpropanamide;tert-butyl N-[1-[4-[2-(2-amino-3-pyridinyl)-5-[3-[(2-hydroxy-2-methylpropanoyl)amino]phenyl]imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]carbamate;hydrochloride
• PubChem CID: 157288533
• Molecular Formula: C67H71ClN14O6
• Molecular Weight: 1203.85 g/mol
• Exact Mass: 1202.54
• IUPAC Name: N-[3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]phenyl]-2-hydroxy-2-methylpropanamide;tert-butyl N-[1-[4-[2-(2-amino-3-pyridinyl)-5-[3-[(2-hydroxy-2-methylpropanoyl)amino]phenyl]imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]carbamate;hydrochloride
• SMILES: CC(C)(C)OC(=O)NC1(c2ccc(-n3c(-c4cccnc4N)nc4ccc(-c5cccc(NC(=O)C(C)(C)O)c5)nc43)cc2)CCC1.CC(C)(O)C(=O)Nc1cccc(-c2ccc3nc(-c4cccnc4N)n(-c4ccc(C5(N)CCC5)cc4)c3n2)c1.Cl
• InChI: InChI=1S/C36H39N7O4.C31H31N7O2.ClH/c1-34(2,3)47-33(45)42-36(18-8-19-36)23-12-14-25(15-13-23)43-30(26-11-7-20-38-29(26)37)41-28-17-16-27(40-31(28)43)22-9-6-10-24(21-22)39-32(44)35(4,5)46;1-30(2,40)29(39)35-21-7-3-6-19(18-21)24-13-14-25-28(36-24)38(27(37-25)23-8-4-17-34-26(23)32)22-11-9-20(10-12-22)31(33)15-5-16-31;/h6-7,9-17,20-21,46H,8,18-19H2,1-5H3,(H2,37,38)(H,39,44)(H,42,45);3-4,6-14,17-18,40H,5,15-16,33H2,1-2H3,(H2,32,34)(H,35,39);1H
• InChIKey: HUWNTIHHXLUPED-UHFFFAOYSA-N
• XLogP: 11.55
• TPSA: 302.25 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 17
• Rotatable Bonds: 13
• Heavy Atoms: 88
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1203.85
LogP ≤ 5	11.55
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]phenyl]-2-hydroxy-2-methylpropanamide;tert-butyl N-[1-[4-[2-(2-amino-3-pyridinyl)-5-[3-[(2-hydroxy-2-methylpropanoyl)amino]phenyl]imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]carbamate;hydrochloride?

The IUPAC name of N-[3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]phenyl]-2-hydroxy-2-methylpropanamide;tert-butyl N-[1-[4-[2-(2-amino-3-pyridinyl)-5-[3-[(2-hydroxy-2-methylpropanoyl)amino]phenyl]imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]carbamate;hydrochloride (CID 157288533) is N-[3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]phenyl]-2-hydroxy-2-methylpropanamide;tert-butyl N-[1-[4-[2-(2-amino-3-pyridinyl)-5-[3-[(2-hydroxy-2-methylpropanoyl)amino]phenyl]imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]carbamate;hydrochloride.

What is the SMILES notation for N-[3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]phenyl]-2-hydroxy-2-methylpropanamide;tert-butyl N-[1-[4-[2-(2-amino-3-pyridinyl)-5-[3-[(2-hydroxy-2-methylpropanoyl)amino]phenyl]imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]carbamate;hydrochloride?

The canonical SMILES for N-[3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]phenyl]-2-hydroxy-2-methylpropanamide;tert-butyl N-[1-[4-[2-(2-amino-3-pyridinyl)-5-[3-[(2-hydroxy-2-methylpropanoyl)amino]phenyl]imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]carbamate;hydrochloride is CC(C)(C)OC(=O)NC1(c2ccc(-n3c(-c4cccnc4N)nc4ccc(-c5cccc(NC(=O)C(C)(C)O)c5)nc43)cc2)CCC1.CC(C)(O)C(=O)Nc1cccc(-c2ccc3nc(-c4cccnc4N)n(-c4ccc(C5(N)CCC5)cc4)c3n2)c1.Cl.

What is the InChIKey of N-[3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]phenyl]-2-hydroxy-2-methylpropanamide;tert-butyl N-[1-[4-[2-(2-amino-3-pyridinyl)-5-[3-[(2-hydroxy-2-methylpropanoyl)amino]phenyl]imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]carbamate;hydrochloride?

The InChIKey is HUWNTIHHXLUPED-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H39N7O4.C31H31N7O2.ClH/c1-34(2,3)47-33(45)42-36(18-8-19-36)23-12-14-25(15-13-23)43-30(26-11-7-20-38-29(26)37)41-28-17-16-27(40-31(28)43)22-9-6-10-24(21-22)39-32(44)35(4,5)46;1-30(2,40)29(39)35-21-7-3-6-19(18-21)24-13-14-25-28(36-24)38(27(37-25)23-8-4-17-34-26(23)32)22-11-9-20(10-12-22)31(33)15-5-16-31;/h6-7,9-17,20-21,46H,8,18-19H2,1-5H3,(H2,37,38)(H,39,44)(H,42,45);3-4,6-14,17-18,40H,5,15-16,33H2,1-2H3,(H2,32,34)(H,35,39);1H.

What are the key properties of N-[3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]phenyl]-2-hydroxy-2-methylpropanamide;tert-butyl N-[1-[4-[2-(2-amino-3-pyridinyl)-5-[3-[(2-hydroxy-2-methylpropanoyl)amino]phenyl]imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]carbamate;hydrochloride?

N-[3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]phenyl]-2-hydroxy-2-methylpropanamide;tert-butyl N-[1-[4-[2-(2-amino-3-pyridinyl)-5-[3-[(2-hydroxy-2-methylpropanoyl)amino]phenyl]imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]carbamate;hydrochloride has a molecular weight of 1203.85 g/mol, XLogP of 11.55, 13 rotatable bonds, 8 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]phenyl]-2-hydroxy-2-methylpropanamide;tert-butyl N-[1-[4-[2-(2-amino-3-pyridinyl)-5-[3-[(2-hydroxy-2-methylpropanoyl)amino]phenyl]imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]carbamate;hydrochloride is sourced from PubChem (CID 157288533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).