7-[2-ethyl-3-[[(2-hydroxycyclohexyl)amino]methyl]anilino]-2-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridine-6-carboxamide

C32H39N7O3 — CID 11353615

IUPAC7-[2-ethyl-3-[[(2-hydroxycyclohexyl)amino]methyl]anilino]-2-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridine-6-carboxamide
SMILESCCc1c(CNC2CCCCC2O)cccc1Nc1c(C(N)=O)cnc2nc(-c3ccc(N4CCOCC4)cc3)[nH]c12
InChIInChI=1S/C32H39N7O3/c1-2-23-21(18-34-26-7-3-4-9-27(26)40)6-5-8-25(23)36-28-24(30(33)41)19-35-32-29(28)37-31(38-32)20-10-12-22(13-11-20)39-14-16-42-17-15-39/h5-6,8,10-13,19,26-27,34,40H,2-4,7,9,14-18H2,1H3,(H2,33,41)(H2,35,36,37,38)
InChIKeyYEDVIWSOAXPTEQ-UHFFFAOYSA-N
MW569.71 g/mol
LogP4.26
Rot. Bonds9

About 7-[2-ethyl-3-[[(2-hydroxycyclohexyl)amino]methyl]anilino]-2-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridine-6-carboxamide

7-[2-ethyl-3-[[(2-hydroxycyclohexyl)amino]methyl]anilino]-2-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridine-6-carboxamide (PubChem CID 11353615) has the molecular formula C32H39N7O3 and a molecular weight of 569.71 g/mol. Its IUPAC name is 7-[2-ethyl-3-[[(2-hydroxycyclohexyl)amino]methyl]anilino]-2-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name7-[2-ethyl-3-[[(2-hydroxycyclohexyl)amino]methyl]anilino]-2-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridine-6-carboxamide
PubChem CID11353615
Molecular FormulaC32H39N7O3
Molecular Weight569.71 g/mol
Exact Mass569.31
IUPAC Name7-[2-ethyl-3-[[(2-hydroxycyclohexyl)amino]methyl]anilino]-2-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridine-6-carboxamide
SMILESCCc1c(CNC2CCCCC2O)cccc1Nc1c(C(N)=O)cnc2nc(-c3ccc(N4CCOCC4)cc3)[nH]c12
InChIInChI=1S/C32H39N7O3/c1-2-23-21(18-34-26-7-3-4-9-27(26)40)6-5-8-25(23)36-28-24(30(33)41)19-35-32-29(28)37-31(38-32)20-10-12-22(13-11-20)39-14-16-42-17-15-39/h5-6,8,10-13,19,26-27,34,40H,2-4,7,9,14-18H2,1H3,(H2,33,41)(H2,35,36,37,38)
InChIKeyYEDVIWSOAXPTEQ-UHFFFAOYSA-N
XLogP4.26
TPSA141.42 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500569.71
LogP ≤ 54.26
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_G(9)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-[2-ethyl-3-[[(2-hydroxycyclohexyl)amino]methyl]anilino]-2-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridine-6-carboxamide?
The IUPAC name of 7-[2-ethyl-3-[[(2-hydroxycyclohexyl)amino]methyl]anilino]-2-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridine-6-carboxamide (CID 11353615) is 7-[2-ethyl-3-[[(2-hydroxycyclohexyl)amino]methyl]anilino]-2-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridine-6-carboxamide.
What is the SMILES notation for 7-[2-ethyl-3-[[(2-hydroxycyclohexyl)amino]methyl]anilino]-2-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridine-6-carboxamide?
The canonical SMILES for 7-[2-ethyl-3-[[(2-hydroxycyclohexyl)amino]methyl]anilino]-2-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridine-6-carboxamide is CCc1c(CNC2CCCCC2O)cccc1Nc1c(C(N)=O)cnc2nc(-c3ccc(N4CCOCC4)cc3)[nH]c12.
What is the InChIKey of 7-[2-ethyl-3-[[(2-hydroxycyclohexyl)amino]methyl]anilino]-2-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridine-6-carboxamide?
The InChIKey is YEDVIWSOAXPTEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H39N7O3/c1-2-23-21(18-34-26-7-3-4-9-27(26)40)6-5-8-25(23)36-28-24(30(33)41)19-35-32-29(28)37-31(38-32)20-10-12-22(13-11-20)39-14-16-42-17-15-39/h5-6,8,10-13,19,26-27,34,40H,2-4,7,9,14-18H2,1H3,(H2,33,41)(H2,35,36,37,38).
What are the key properties of 7-[2-ethyl-3-[[(2-hydroxycyclohexyl)amino]methyl]anilino]-2-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridine-6-carboxamide?
7-[2-ethyl-3-[[(2-hydroxycyclohexyl)amino]methyl]anilino]-2-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridine-6-carboxamide has a molecular weight of 569.71 g/mol, XLogP of 4.26, 9 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-ethyl-3-[[(2-hydroxycyclohexyl)amino]methyl]anilino]-2-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridine-6-carboxamide is sourced from PubChem (CID 11353615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).