2-[3-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]cyclobutyl]-2-methylpropanal;methanol

C25H31ClN4O4 — CID 144512156

IUPAC2-[3-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]cyclobutyl]-2-methylpropanal;methanol
SMILESCC(C)(C=O)C1CC(Oc2nc3nc(-c4ccc(N5CCOCC5)cc4)c(Cl)cc3[nH]2)C1.CO
InChIInChI=1S/C24H27ClN4O3.CH4O/c1-24(2,14-30)16-11-18(12-16)32-23-26-20-13-19(25)21(27-22(20)28-23)15-3-5-17(6-4-15)29-7-9-31-10-8-29;1-2/h3-6,13-14,16,18H,7-12H2,1-2H3,(H,26,27,28);2H,1H3
InChIKeyZJOYPOUSMWJZMQ-UHFFFAOYSA-N
MW487.00 g/mol
LogP4.11
Rot. Bonds6

About 2-[3-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]cyclobutyl]-2-methylpropanal;methanol

2-[3-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]cyclobutyl]-2-methylpropanal;methanol (PubChem CID 144512156) has the molecular formula C25H31ClN4O4 and a molecular weight of 487.00 g/mol. Its IUPAC name is 2-[3-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]cyclobutyl]-2-methylpropanal;methanol.

Molecular Properties

Compound Name2-[3-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]cyclobutyl]-2-methylpropanal;methanol
PubChem CID144512156
Molecular FormulaC25H31ClN4O4
Molecular Weight487.00 g/mol
Exact Mass486.20
IUPAC Name2-[3-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]cyclobutyl]-2-methylpropanal;methanol
SMILESCC(C)(C=O)C1CC(Oc2nc3nc(-c4ccc(N5CCOCC5)cc4)c(Cl)cc3[nH]2)C1.CO
InChIInChI=1S/C24H27ClN4O3.CH4O/c1-24(2,14-30)16-11-18(12-16)32-23-26-20-13-19(25)21(27-22(20)28-23)15-3-5-17(6-4-15)29-7-9-31-10-8-29;1-2/h3-6,13-14,16,18H,7-12H2,1-2H3,(H,26,27,28);2H,1H3
InChIKeyZJOYPOUSMWJZMQ-UHFFFAOYSA-N
XLogP4.11
TPSA100.57 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.00
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]cyclobutyl]-2-methylpropanal;methanol?
The IUPAC name of 2-[3-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]cyclobutyl]-2-methylpropanal;methanol (CID 144512156) is 2-[3-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]cyclobutyl]-2-methylpropanal;methanol.
What is the SMILES notation for 2-[3-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]cyclobutyl]-2-methylpropanal;methanol?
The canonical SMILES for 2-[3-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]cyclobutyl]-2-methylpropanal;methanol is CC(C)(C=O)C1CC(Oc2nc3nc(-c4ccc(N5CCOCC5)cc4)c(Cl)cc3[nH]2)C1.CO.
What is the InChIKey of 2-[3-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]cyclobutyl]-2-methylpropanal;methanol?
The InChIKey is ZJOYPOUSMWJZMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClN4O3.CH4O/c1-24(2,14-30)16-11-18(12-16)32-23-26-20-13-19(25)21(27-22(20)28-23)15-3-5-17(6-4-15)29-7-9-31-10-8-29;1-2/h3-6,13-14,16,18H,7-12H2,1-2H3,(H,26,27,28);2H,1H3.
What are the key properties of 2-[3-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]cyclobutyl]-2-methylpropanal;methanol?
2-[3-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]cyclobutyl]-2-methylpropanal;methanol has a molecular weight of 487.00 g/mol, XLogP of 4.11, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]cyclobutyl]-2-methylpropanal;methanol is sourced from PubChem (CID 144512156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).