2-[3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]anilino]ethanol;8-[3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]phenyl]-8-azabicyclo[3.2.1]octan-3-ol;N-[3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]phenyl]-2-methoxy-2-methylpropanamide;3-[3-[4-(1-aminocyclobutyl)phenyl]-5-[3-(4-morpholin-4-ylpiperidin-1-yl)phenyl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine

C131H137N29O5 — CID 157053101

IUPAC2-[3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]anilino]ethanol;8-[3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]phenyl]-8-azabicyclo[3.2.1]octan-3-ol;N-[3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]phenyl]-2-methoxy-2-methylpropanamide;3-[3-[4-(1-aminocyclobutyl)phenyl]-5-[3-(4-morpholin-4-ylpiperidin-1-yl)phenyl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
SMILESCOC(C)(C)C(=O)Nc1cccc(-c2ccc3nc(-c4cccnc4N)n(-c4ccc(C5(N)CCC5)cc4)c3n2)c1.Nc1ncccc1-c1nc2ccc(-c3cccc(N4C5CCC4CC(O)C5)c3)nc2n1-c1ccc(C2(N)CCC2)cc1.Nc1ncccc1-c1nc2ccc(-c3cccc(N4CCC(N5CCOCC5)CC4)c3)nc2n1-c1ccc(C2(N)CCC2)cc1.Nc1ncccc1-c1nc2ccc(-c3cccc(NCCO)c3)nc2n1-c1ccc(C2(N)CCC2)cc1
InChIInChI=1S/C36H40N8O.C34H35N7O.C32H33N7O2.C29H29N7O/c37-33-30(6-2-17-39-33)34-41-32-12-11-31(40-35(32)44(34)28-9-7-26(8-10-28)36(38)15-3-16-36)25-4-1-5-29(24-25)42-18-13-27(14-19-42)43-20-22-45-23-21-43;35-31-28(6-2-17-37-31)32-39-30-14-13-29(21-4-1-5-24(18-21)40-25-11-12-26(40)20-27(42)19-25)38-33(30)41(32)23-9-7-22(8-10-23)34(36)15-3-16-34;1-31(2,41-3)30(40)36-22-8-4-7-20(19-22)25-14-15-26-29(37-25)39(28(38-26)24-9-5-18-35-27(24)33)23-12-10-21(11-13-23)32(34)16-6-17-32;30-26-23(6-2-15-33-26)27-35-25-12-11-24(19-4-1-5-21(18-19)32-16-17-37)34-28(25)36(27)22-9-7-20(8-10-22)29(31)13-3-14-29/h1-2,4-12,17,24,27H,3,13-16,18-23,38H2,(H2,37,39);1-2,4-10,13-14,17-18,25-27,42H,3,11-12,15-16,19-20,36H2,(H2,35,37);4-5,7-15,18-19H,6,16-17,34H2,1-3H3,(H2,33,35)(H,36,40);1-2,4-12,15,18,32,37H,3,13-14,16-17,31H2,(H2,30,33)
InChIKeyAALARDBKBQCEJZ-UHFFFAOYSA-N
MW2197.73 g/mol
LogP20.84
Rot. Bonds25

About 2-[3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]anilino]ethanol;8-[3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]phenyl]-8-azabicyclo[3.2.1]octan-3-ol;N-[3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]phenyl]-2-methoxy-2-methylpropanamide;3-[3-[4-(1-aminocyclobutyl)phenyl]-5-[3-(4-morpholin-4-ylpiperidin-1-yl)phenyl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine

2-[3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]anilino]ethanol;8-[3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]phenyl]-8-azabicyclo[3.2.1]octan-3-ol;N-[3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]phenyl]-2-methoxy-2-methylpropanamide;3-[3-[4-(1-aminocyclobutyl)phenyl]-5-[3-(4-morpholin-4-ylpiperidin-1-yl)phenyl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine (PubChem CID 157053101) has the molecular formula C131H137N29O5 and a molecular weight of 2197.73 g/mol. Its IUPAC name is 2-[3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]anilino]ethanol;8-[3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]phenyl]-8-azabicyclo[3.2.1]octan-3-ol;N-[3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]phenyl]-2-methoxy-2-methylpropanamide;3-[3-[4-(1-aminocyclobutyl)phenyl]-5-[3-(4-morpholin-4-ylpiperidin-1-yl)phenyl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine.

Molecular Properties

Compound Name2-[3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]anilino]ethanol;8-[3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]phenyl]-8-azabicyclo[3.2.1]octan-3-ol;N-[3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]phenyl]-2-methoxy-2-methylpropanamide;3-[3-[4-(1-aminocyclobutyl)phenyl]-5-[3-(4-morpholin-4-ylpiperidin-1-yl)phenyl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
PubChem CID157053101
Molecular FormulaC131H137N29O5
Molecular Weight2197.73 g/mol
Exact Mass2196.14
IUPAC Name2-[3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]anilino]ethanol;8-[3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]phenyl]-8-azabicyclo[3.2.1]octan-3-ol;N-[3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]phenyl]-2-methoxy-2-methylpropanamide;3-[3-[4-(1-aminocyclobutyl)phenyl]-5-[3-(4-morpholin-4-ylpiperidin-1-yl)phenyl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
SMILESCOC(C)(C)C(=O)Nc1cccc(-c2ccc3nc(-c4cccnc4N)n(-c4ccc(C5(N)CCC5)cc4)c3n2)c1.Nc1ncccc1-c1nc2ccc(-c3cccc(N4C5CCC4CC(O)C5)c3)nc2n1-c1ccc(C2(N)CCC2)cc1.Nc1ncccc1-c1nc2ccc(-c3cccc(N4CCC(N5CCOCC5)CC4)c3)nc2n1-c1ccc(C2(N)CCC2)cc1.Nc1ncccc1-c1nc2ccc(-c3cccc(NCCO)c3)nc2n1-c1ccc(C2(N)CCC2)cc1
InChIInChI=1S/C36H40N8O.C34H35N7O.C32H33N7O2.C29H29N7O/c37-33-30(6-2-17-39-33)34-41-32-12-11-31(40-35(32)44(34)28-9-7-26(8-10-28)36(38)15-3-16-36)25-4-1-5-29(24-25)42-18-13-27(14-19-42)43-20-22-45-23-21-43;35-31-28(6-2-17-37-31)32-39-30-14-13-29(21-4-1-5-24(18-21)40-25-11-12-26(40)20-27(42)19-25)38-33(30)41(32)23-9-7-22(8-10-23)34(36)15-3-16-34;1-31(2,41-3)30(40)36-22-8-4-7-20(19-22)25-14-15-26-29(37-25)39(28(38-26)24-9-5-18-35-27(24)33)23-12-10-21(11-13-23)32(34)16-6-17-32;30-26-23(6-2-15-33-26)27-35-25-12-11-24(19-4-1-5-21(18-19)32-16-17-37)34-28(25)36(27)22-9-7-20(8-10-22)29(31)13-3-14-29/h1-2,4-12,17,24,27H,3,13-16,18-23,38H2,(H2,37,39);1-2,4-10,13-14,17-18,25-27,42H,3,11-12,15-16,19-20,36H2,(H2,35,37);4-5,7-15,18-19H,6,16-17,34H2,1-3H3,(H2,33,35)(H,36,40);1-2,4-12,15,18,32,37H,3,13-14,16-17,31H2,(H2,30,33)
InChIKeyAALARDBKBQCEJZ-UHFFFAOYSA-N
XLogP20.84
TPSA492.33 Ų
H-Bond Donors12
H-Bond Acceptors33
Rotatable Bonds25
Heavy Atoms165
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002197.73
LogP ≤ 520.84
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1033

Analyze 2-[3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]anilino]ethanol;8-[3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]phenyl]-8-azabicyclo[3.2.1]octan-3-ol;N-[3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]phenyl]-2-methoxy-2-methylpropanamide;3-[3-[4-(1-aminocyclobutyl)phenyl]-5-[3-(4-morpholin-4-ylpiperidin-1-yl)phenyl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]anilino]ethanol;8-[3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]phenyl]-8-azabicyclo[3.2.1]octan-3-ol;N-[3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]phenyl]-2-methoxy-2-methylpropanamide;3-[3-[4-(1-aminocyclobutyl)phenyl]-5-[3-(4-morpholin-4-ylpiperidin-1-yl)phenyl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine?
The IUPAC name of 2-[3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]anilino]ethanol;8-[3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]phenyl]-8-azabicyclo[3.2.1]octan-3-ol;N-[3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]phenyl]-2-methoxy-2-methylpropanamide;3-[3-[4-(1-aminocyclobutyl)phenyl]-5-[3-(4-morpholin-4-ylpiperidin-1-yl)phenyl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine (CID 157053101) is 2-[3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]anilino]ethanol;8-[3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]phenyl]-8-azabicyclo[3.2.1]octan-3-ol;N-[3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]phenyl]-2-methoxy-2-methylpropanamide;3-[3-[4-(1-aminocyclobutyl)phenyl]-5-[3-(4-morpholin-4-ylpiperidin-1-yl)phenyl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine.
What is the SMILES notation for 2-[3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]anilino]ethanol;8-[3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]phenyl]-8-azabicyclo[3.2.1]octan-3-ol;N-[3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]phenyl]-2-methoxy-2-methylpropanamide;3-[3-[4-(1-aminocyclobutyl)phenyl]-5-[3-(4-morpholin-4-ylpiperidin-1-yl)phenyl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine?
The canonical SMILES for 2-[3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]anilino]ethanol;8-[3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]phenyl]-8-azabicyclo[3.2.1]octan-3-ol;N-[3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]phenyl]-2-methoxy-2-methylpropanamide;3-[3-[4-(1-aminocyclobutyl)phenyl]-5-[3-(4-morpholin-4-ylpiperidin-1-yl)phenyl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine is COC(C)(C)C(=O)Nc1cccc(-c2ccc3nc(-c4cccnc4N)n(-c4ccc(C5(N)CCC5)cc4)c3n2)c1.Nc1ncccc1-c1nc2ccc(-c3cccc(N4C5CCC4CC(O)C5)c3)nc2n1-c1ccc(C2(N)CCC2)cc1.Nc1ncccc1-c1nc2ccc(-c3cccc(N4CCC(N5CCOCC5)CC4)c3)nc2n1-c1ccc(C2(N)CCC2)cc1.Nc1ncccc1-c1nc2ccc(-c3cccc(NCCO)c3)nc2n1-c1ccc(C2(N)CCC2)cc1.
What is the InChIKey of 2-[3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]anilino]ethanol;8-[3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]phenyl]-8-azabicyclo[3.2.1]octan-3-ol;N-[3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]phenyl]-2-methoxy-2-methylpropanamide;3-[3-[4-(1-aminocyclobutyl)phenyl]-5-[3-(4-morpholin-4-ylpiperidin-1-yl)phenyl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine?
The InChIKey is AALARDBKBQCEJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H40N8O.C34H35N7O.C32H33N7O2.C29H29N7O/c37-33-30(6-2-17-39-33)34-41-32-12-11-31(40-35(32)44(34)28-9-7-26(8-10-28)36(38)15-3-16-36)25-4-1-5-29(24-25)42-18-13-27(14-19-42)43-20-22-45-23-21-43;35-31-28(6-2-17-37-31)32-39-30-14-13-29(21-4-1-5-24(18-21)40-25-11-12-26(40)20-27(42)19-25)38-33(30)41(32)23-9-7-22(8-10-23)34(36)15-3-16-34;1-31(2,41-3)30(40)36-22-8-4-7-20(19-22)25-14-15-26-29(37-25)39(28(38-26)24-9-5-18-35-27(24)33)23-12-10-21(11-13-23)32(34)16-6-17-32;30-26-23(6-2-15-33-26)27-35-25-12-11-24(19-4-1-5-21(18-19)32-16-17-37)34-28(25)36(27)22-9-7-20(8-10-22)29(31)13-3-14-29/h1-2,4-12,17,24,27H,3,13-16,18-23,38H2,(H2,37,39);1-2,4-10,13-14,17-18,25-27,42H,3,11-12,15-16,19-20,36H2,(H2,35,37);4-5,7-15,18-19H,6,16-17,34H2,1-3H3,(H2,33,35)(H,36,40);1-2,4-12,15,18,32,37H,3,13-14,16-17,31H2,(H2,30,33).
What are the key properties of 2-[3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]anilino]ethanol;8-[3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]phenyl]-8-azabicyclo[3.2.1]octan-3-ol;N-[3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]phenyl]-2-methoxy-2-methylpropanamide;3-[3-[4-(1-aminocyclobutyl)phenyl]-5-[3-(4-morpholin-4-ylpiperidin-1-yl)phenyl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine?
2-[3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]anilino]ethanol;8-[3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]phenyl]-8-azabicyclo[3.2.1]octan-3-ol;N-[3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]phenyl]-2-methoxy-2-methylpropanamide;3-[3-[4-(1-aminocyclobutyl)phenyl]-5-[3-(4-morpholin-4-ylpiperidin-1-yl)phenyl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine has a molecular weight of 2197.73 g/mol, XLogP of 20.84, 25 rotatable bonds, 12 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]anilino]ethanol;8-[3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]phenyl]-8-azabicyclo[3.2.1]octan-3-ol;N-[3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]phenyl]-2-methoxy-2-methylpropanamide;3-[3-[4-(1-aminocyclobutyl)phenyl]-5-[3-(4-morpholin-4-ylpiperidin-1-yl)phenyl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine is sourced from PubChem (CID 157053101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).