3-[3-[4-(1-aminocyclobutyl)phenyl]-5-[3-(2,6-dimethylmorpholin-4-yl)phenyl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine

C33H35N7O — CID 78032036

IUPAC3-[3-[4-(1-aminocyclobutyl)phenyl]-5-[3-(2,6-dimethylmorpholin-4-yl)phenyl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
SMILESCC1CN(c2cccc(-c3ccc4nc(-c5cccnc5N)n(-c5ccc(C6(N)CCC6)cc5)c4n3)c2)CC(C)O1
InChIInChI=1S/C33H35N7O/c1-21-19-39(20-22(2)41-21)26-7-3-6-23(18-26)28-13-14-29-32(37-28)40(31(38-29)27-8-4-17-36-30(27)34)25-11-9-24(10-12-25)33(35)15-5-16-33/h3-4,6-14,17-18,21-22H,5,15-16,19-20,35H2,1-2H3,(H2,34,36)
InChIKeyLZWGJFSNUBMYRN-UHFFFAOYSA-N
MW545.69 g/mol
LogP5.68
Rot. Bonds5

About 3-[3-[4-(1-aminocyclobutyl)phenyl]-5-[3-(2,6-dimethylmorpholin-4-yl)phenyl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine

3-[3-[4-(1-aminocyclobutyl)phenyl]-5-[3-(2,6-dimethylmorpholin-4-yl)phenyl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine (PubChem CID 78032036) has the molecular formula C33H35N7O and a molecular weight of 545.69 g/mol. Its IUPAC name is 3-[3-[4-(1-aminocyclobutyl)phenyl]-5-[3-(2,6-dimethylmorpholin-4-yl)phenyl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine.

Molecular Properties

Compound Name3-[3-[4-(1-aminocyclobutyl)phenyl]-5-[3-(2,6-dimethylmorpholin-4-yl)phenyl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
PubChem CID78032036
Molecular FormulaC33H35N7O
Molecular Weight545.69 g/mol
Exact Mass545.29
IUPAC Name3-[3-[4-(1-aminocyclobutyl)phenyl]-5-[3-(2,6-dimethylmorpholin-4-yl)phenyl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
SMILESCC1CN(c2cccc(-c3ccc4nc(-c5cccnc5N)n(-c5ccc(C6(N)CCC6)cc5)c4n3)c2)CC(C)O1
InChIInChI=1S/C33H35N7O/c1-21-19-39(20-22(2)41-21)26-7-3-6-23(18-26)28-13-14-29-32(37-28)40(31(38-29)27-8-4-17-36-30(27)34)25-11-9-24(10-12-25)33(35)15-5-16-33/h3-4,6-14,17-18,21-22H,5,15-16,19-20,35H2,1-2H3,(H2,34,36)
InChIKeyLZWGJFSNUBMYRN-UHFFFAOYSA-N
XLogP5.68
TPSA108.11 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500545.69
LogP ≤ 55.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

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1-[4-(3-ethyl-7-morpholin-4-yl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl)phenyl]-3-pyridin-4-ylurea
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4-[2-(4-fluorophenyl)-7-[[methyl(oxolan-2-ylmethyl)amino]methyl]imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine
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Frequently Asked Questions

What is the IUPAC name of 3-[3-[4-(1-aminocyclobutyl)phenyl]-5-[3-(2,6-dimethylmorpholin-4-yl)phenyl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine?
The IUPAC name of 3-[3-[4-(1-aminocyclobutyl)phenyl]-5-[3-(2,6-dimethylmorpholin-4-yl)phenyl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine (CID 78032036) is 3-[3-[4-(1-aminocyclobutyl)phenyl]-5-[3-(2,6-dimethylmorpholin-4-yl)phenyl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine.
What is the SMILES notation for 3-[3-[4-(1-aminocyclobutyl)phenyl]-5-[3-(2,6-dimethylmorpholin-4-yl)phenyl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine?
The canonical SMILES for 3-[3-[4-(1-aminocyclobutyl)phenyl]-5-[3-(2,6-dimethylmorpholin-4-yl)phenyl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine is CC1CN(c2cccc(-c3ccc4nc(-c5cccnc5N)n(-c5ccc(C6(N)CCC6)cc5)c4n3)c2)CC(C)O1.
What is the InChIKey of 3-[3-[4-(1-aminocyclobutyl)phenyl]-5-[3-(2,6-dimethylmorpholin-4-yl)phenyl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine?
The InChIKey is LZWGJFSNUBMYRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H35N7O/c1-21-19-39(20-22(2)41-21)26-7-3-6-23(18-26)28-13-14-29-32(37-28)40(31(38-29)27-8-4-17-36-30(27)34)25-11-9-24(10-12-25)33(35)15-5-16-33/h3-4,6-14,17-18,21-22H,5,15-16,19-20,35H2,1-2H3,(H2,34,36).
What are the key properties of 3-[3-[4-(1-aminocyclobutyl)phenyl]-5-[3-(2,6-dimethylmorpholin-4-yl)phenyl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine?
3-[3-[4-(1-aminocyclobutyl)phenyl]-5-[3-(2,6-dimethylmorpholin-4-yl)phenyl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine has a molecular weight of 545.69 g/mol, XLogP of 5.68, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[4-(1-aminocyclobutyl)phenyl]-5-[3-(2,6-dimethylmorpholin-4-yl)phenyl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine is sourced from PubChem (CID 78032036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).