N'-[2-ethyl-3-(morpholin-4-ylmethyl)phenyl]-2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridine-6-carbohydrazide

C27H30N6O3 — CID 90921465

IUPACN'-[2-ethyl-3-(morpholin-4-ylmethyl)phenyl]-2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridine-6-carbohydrazide
SMILESCCc1c(CN2CCOCC2)cccc1NNC(=O)c1cnc2nc(-c3ccc(OC)cc3)[nH]c2c1
InChIInChI=1S/C27H30N6O3/c1-3-22-19(17-33-11-13-36-14-12-33)5-4-6-23(22)31-32-27(34)20-15-24-26(28-16-20)30-25(29-24)18-7-9-21(35-2)10-8-18/h4-10,15-16,31H,3,11-14,17H2,1-2H3,(H,32,34)(H,28,29,30)
InChIKeyLMLDBIHHBIDLTJ-UHFFFAOYSA-N
MW486.58 g/mol
LogP3.79
Rot. Bonds8

About N'-[2-ethyl-3-(morpholin-4-ylmethyl)phenyl]-2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridine-6-carbohydrazide

N'-[2-ethyl-3-(morpholin-4-ylmethyl)phenyl]-2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridine-6-carbohydrazide (PubChem CID 90921465) has the molecular formula C27H30N6O3 and a molecular weight of 486.58 g/mol. Its IUPAC name is N'-[2-ethyl-3-(morpholin-4-ylmethyl)phenyl]-2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridine-6-carbohydrazide.

Molecular Properties

Compound NameN'-[2-ethyl-3-(morpholin-4-ylmethyl)phenyl]-2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridine-6-carbohydrazide
PubChem CID90921465
Molecular FormulaC27H30N6O3
Molecular Weight486.58 g/mol
Exact Mass486.24
IUPAC NameN'-[2-ethyl-3-(morpholin-4-ylmethyl)phenyl]-2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridine-6-carbohydrazide
SMILESCCc1c(CN2CCOCC2)cccc1NNC(=O)c1cnc2nc(-c3ccc(OC)cc3)[nH]c2c1
InChIInChI=1S/C27H30N6O3/c1-3-22-19(17-33-11-13-36-14-12-33)5-4-6-23(22)31-32-27(34)20-15-24-26(28-16-20)30-25(29-24)18-7-9-21(35-2)10-8-18/h4-10,15-16,31H,3,11-14,17H2,1-2H3,(H,32,34)(H,28,29,30)
InChIKeyLMLDBIHHBIDLTJ-UHFFFAOYSA-N
XLogP3.79
TPSA104.40 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.58
LogP ≤ 53.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

7-[2-ethyl-3-[(3-hydroxypiperidin-1-yl)methyl]anilino]-2-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridine-6-carboxamide
CID 11249878
5-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide
CID 117088063
3-(4-methoxyphenyl)-N-[3-(morpholin-4-ylmethyl)phenyl]-1H-pyrazole-5-carboxamide
CID 19508813
N-hydroxy-2-[4-(2-morpholin-4-ylethoxy)phenyl]-3H-benzimidazole-5-carboxamide
CID 122690240
N-(2,5-dimethoxyphenyl)-3-(morpholin-4-ylmethyl)benzamide
CID 28572616
7-[2-ethyl-3-[[(2-hydroxycyclohexyl)amino]methyl]anilino]-2-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridine-6-carboxamide
CID 11353615
6-bromo-2-[4-[2-[4-(2-methoxyethyl)piperazin-1-yl]ethoxy]phenyl]-1H-imidazo[4,5-b]pyridine;bis(2,2,2-trifluoroacetic acid)
CID 87735688
2-ethyl-N-[2-(1H-imidazol-2-yl)-5-morpholin-4-ylphenyl]-3-(morpholin-4-ylmethyl)aniline
CID 141100285
methyl 4-methoxy-2-(morpholin-4-ylmethyl)benzoate
CID 67322163
2-(3-fluoro-4-methoxyphenyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
CID 82796325
3-ethoxy-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
CID 55882954
4-methoxy-N-[3-[3-[[4-methoxy-5-(morpholin-4-ylmethyl)pyridine-2-carbonyl]amino]-2-methylphenyl]-2-methylphenyl]-5-(morpholin-4-ylmethyl)pyridine-2-carboxamide;molecular hydrogen
CID 153331960

Frequently Asked Questions

What is the IUPAC name of N'-[2-ethyl-3-(morpholin-4-ylmethyl)phenyl]-2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridine-6-carbohydrazide?
The IUPAC name of N'-[2-ethyl-3-(morpholin-4-ylmethyl)phenyl]-2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridine-6-carbohydrazide (CID 90921465) is N'-[2-ethyl-3-(morpholin-4-ylmethyl)phenyl]-2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridine-6-carbohydrazide.
What is the SMILES notation for N'-[2-ethyl-3-(morpholin-4-ylmethyl)phenyl]-2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridine-6-carbohydrazide?
The canonical SMILES for N'-[2-ethyl-3-(morpholin-4-ylmethyl)phenyl]-2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridine-6-carbohydrazide is CCc1c(CN2CCOCC2)cccc1NNC(=O)c1cnc2nc(-c3ccc(OC)cc3)[nH]c2c1.
What is the InChIKey of N'-[2-ethyl-3-(morpholin-4-ylmethyl)phenyl]-2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridine-6-carbohydrazide?
The InChIKey is LMLDBIHHBIDLTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N6O3/c1-3-22-19(17-33-11-13-36-14-12-33)5-4-6-23(22)31-32-27(34)20-15-24-26(28-16-20)30-25(29-24)18-7-9-21(35-2)10-8-18/h4-10,15-16,31H,3,11-14,17H2,1-2H3,(H,32,34)(H,28,29,30).
What are the key properties of N'-[2-ethyl-3-(morpholin-4-ylmethyl)phenyl]-2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridine-6-carbohydrazide?
N'-[2-ethyl-3-(morpholin-4-ylmethyl)phenyl]-2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridine-6-carbohydrazide has a molecular weight of 486.58 g/mol, XLogP of 3.79, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-ethyl-3-(morpholin-4-ylmethyl)phenyl]-2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridine-6-carbohydrazide is sourced from PubChem (CID 90921465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).