[1-[4-[2-(2-amino-3-pyridinyl)-5-[3-[2-(dimethylcarbamoyl)morpholin-4-yl]phenyl]imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]carbamic acid

C35H36N8O4 — CID 71138443

IUPAC[1-[4-[2-(2-amino-3-pyridinyl)-5-[3-[2-(dimethylcarbamoyl)morpholin-4-yl]phenyl]imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]carbamic acid
SMILESCN(C)C(=O)C1CN(c2cccc(-c3ccc4nc(-c5cccnc5N)n(-c5ccc(C6(NC(=O)O)CCC6)cc5)c4n3)c2)CCO1
InChIInChI=1S/C35H36N8O4/c1-41(2)33(44)29-21-42(18-19-47-29)25-7-3-6-22(20-25)27-13-14-28-32(38-27)43(31(39-28)26-8-4-17-37-30(26)36)24-11-9-23(10-12-24)35(15-5-16-35)40-34(45)46/h3-4,6-14,17,20,29,40H,5,15-16,18-19,21H2,1-2H3,(H2,36,37)(H,45,46)
InChIKeyCDNDAJRSKCPAJR-UHFFFAOYSA-N
MW632.73 g/mol
LogP4.67
Rot. Bonds7

About [1-[4-[2-(2-amino-3-pyridinyl)-5-[3-[2-(dimethylcarbamoyl)morpholin-4-yl]phenyl]imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]carbamic acid

[1-[4-[2-(2-amino-3-pyridinyl)-5-[3-[2-(dimethylcarbamoyl)morpholin-4-yl]phenyl]imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]carbamic acid (PubChem CID 71138443) has the molecular formula C35H36N8O4 and a molecular weight of 632.73 g/mol. Its IUPAC name is [1-[4-[2-(2-amino-3-pyridinyl)-5-[3-[2-(dimethylcarbamoyl)morpholin-4-yl]phenyl]imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]carbamic acid.

Molecular Properties

Compound Name[1-[4-[2-(2-amino-3-pyridinyl)-5-[3-[2-(dimethylcarbamoyl)morpholin-4-yl]phenyl]imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]carbamic acid
PubChem CID71138443
Molecular FormulaC35H36N8O4
Molecular Weight632.73 g/mol
Exact Mass632.29
IUPAC Name[1-[4-[2-(2-amino-3-pyridinyl)-5-[3-[2-(dimethylcarbamoyl)morpholin-4-yl]phenyl]imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]carbamic acid
SMILESCN(C)C(=O)C1CN(c2cccc(-c3ccc4nc(-c5cccnc5N)n(-c5ccc(C6(NC(=O)O)CCC6)cc5)c4n3)c2)CCO1
InChIInChI=1S/C35H36N8O4/c1-41(2)33(44)29-21-42(18-19-47-29)25-7-3-6-22(20-25)27-13-14-28-32(38-27)43(31(39-28)26-8-4-17-37-30(26)36)24-11-9-23(10-12-24)35(15-5-16-35)40-34(45)46/h3-4,6-14,17,20,29,40H,5,15-16,18-19,21H2,1-2H3,(H2,36,37)(H,45,46)
InChIKeyCDNDAJRSKCPAJR-UHFFFAOYSA-N
XLogP4.67
TPSA151.73 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms47
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500632.73
LogP ≤ 54.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze [1-[4-[2-(2-amino-3-pyridinyl)-5-[3-[2-(dimethylcarbamoyl)morpholin-4-yl]phenyl]imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]carbamic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of [1-[4-[2-(2-amino-3-pyridinyl)-5-[3-[2-(dimethylcarbamoyl)morpholin-4-yl]phenyl]imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]carbamic acid?
The IUPAC name of [1-[4-[2-(2-amino-3-pyridinyl)-5-[3-[2-(dimethylcarbamoyl)morpholin-4-yl]phenyl]imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]carbamic acid (CID 71138443) is [1-[4-[2-(2-amino-3-pyridinyl)-5-[3-[2-(dimethylcarbamoyl)morpholin-4-yl]phenyl]imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]carbamic acid.
What is the SMILES notation for [1-[4-[2-(2-amino-3-pyridinyl)-5-[3-[2-(dimethylcarbamoyl)morpholin-4-yl]phenyl]imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]carbamic acid?
The canonical SMILES for [1-[4-[2-(2-amino-3-pyridinyl)-5-[3-[2-(dimethylcarbamoyl)morpholin-4-yl]phenyl]imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]carbamic acid is CN(C)C(=O)C1CN(c2cccc(-c3ccc4nc(-c5cccnc5N)n(-c5ccc(C6(NC(=O)O)CCC6)cc5)c4n3)c2)CCO1.
What is the InChIKey of [1-[4-[2-(2-amino-3-pyridinyl)-5-[3-[2-(dimethylcarbamoyl)morpholin-4-yl]phenyl]imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]carbamic acid?
The InChIKey is CDNDAJRSKCPAJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H36N8O4/c1-41(2)33(44)29-21-42(18-19-47-29)25-7-3-6-22(20-25)27-13-14-28-32(38-27)43(31(39-28)26-8-4-17-37-30(26)36)24-11-9-23(10-12-24)35(15-5-16-35)40-34(45)46/h3-4,6-14,17,20,29,40H,5,15-16,18-19,21H2,1-2H3,(H2,36,37)(H,45,46).
What are the key properties of [1-[4-[2-(2-amino-3-pyridinyl)-5-[3-[2-(dimethylcarbamoyl)morpholin-4-yl]phenyl]imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]carbamic acid?
[1-[4-[2-(2-amino-3-pyridinyl)-5-[3-[2-(dimethylcarbamoyl)morpholin-4-yl]phenyl]imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]carbamic acid has a molecular weight of 632.73 g/mol, XLogP of 4.67, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-[2-(2-amino-3-pyridinyl)-5-[3-[2-(dimethylcarbamoyl)morpholin-4-yl]phenyl]imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]carbamic acid is sourced from PubChem (CID 71138443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).