N-(3-methoxypropyl)-2-[4-(morpholin-4-ylmethyl)phenyl]-1H-imidazo[4,5-b]pyridine-7-carboxamide;hydrochloride

C22H28ClN5O3 — CID 68721807

IUPACN-(3-methoxypropyl)-2-[4-(morpholin-4-ylmethyl)phenyl]-1H-imidazo[4,5-b]pyridine-7-carboxamide;hydrochloride
SMILESCOCCCNC(=O)c1ccnc2nc(-c3ccc(CN4CCOCC4)cc3)[nH]c12.Cl
InChIInChI=1S/C22H27N5O3.ClH/c1-29-12-2-8-24-22(28)18-7-9-23-21-19(18)25-20(26-21)17-5-3-16(4-6-17)15-27-10-13-30-14-11-27;/h3-7,9H,2,8,10-15H2,1H3,(H,24,28)(H,23,25,26);1H
InChIKeyMMAIRIMTLHILKV-UHFFFAOYSA-N
MW445.95 g/mol
LogP2.65
Rot. Bonds8

About N-(3-methoxypropyl)-2-[4-(morpholin-4-ylmethyl)phenyl]-1H-imidazo[4,5-b]pyridine-7-carboxamide;hydrochloride

N-(3-methoxypropyl)-2-[4-(morpholin-4-ylmethyl)phenyl]-1H-imidazo[4,5-b]pyridine-7-carboxamide;hydrochloride (PubChem CID 68721807) has the molecular formula C22H28ClN5O3 and a molecular weight of 445.95 g/mol. Its IUPAC name is N-(3-methoxypropyl)-2-[4-(morpholin-4-ylmethyl)phenyl]-1H-imidazo[4,5-b]pyridine-7-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3-methoxypropyl)-2-[4-(morpholin-4-ylmethyl)phenyl]-1H-imidazo[4,5-b]pyridine-7-carboxamide;hydrochloride
PubChem CID68721807
Molecular FormulaC22H28ClN5O3
Molecular Weight445.95 g/mol
Exact Mass445.19
IUPAC NameN-(3-methoxypropyl)-2-[4-(morpholin-4-ylmethyl)phenyl]-1H-imidazo[4,5-b]pyridine-7-carboxamide;hydrochloride
SMILESCOCCCNC(=O)c1ccnc2nc(-c3ccc(CN4CCOCC4)cc3)[nH]c12.Cl
InChIInChI=1S/C22H27N5O3.ClH/c1-29-12-2-8-24-22(28)18-7-9-23-21-19(18)25-20(26-21)17-5-3-16(4-6-17)15-27-10-13-30-14-11-27;/h3-7,9H,2,8,10-15H2,1H3,(H,24,28)(H,23,25,26);1H
InChIKeyMMAIRIMTLHILKV-UHFFFAOYSA-N
XLogP2.65
TPSA92.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.95
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(2,4-dihydroimidazol-3-yl)propyl]-2-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridine-7-carboxamide
CID 90687573
2-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid
CID 140538831
2-[3-[[2-[4-(morpholin-4-ylmethyl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]amino]-2-bicyclo[2.2.1]hept-5-enyl]acetamide
CID 123317149
[(1S,2S,3R,4R)-3-[[2-[4-(morpholin-4-ylmethyl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]amino]-2-bicyclo[2.2.1]hept-5-enyl] carbamate
CID 118643712
2-(4-chlorophenyl)-N-(3-imidazol-1-ylpropyl)-1H-imidazo[4,5-b]pyridine-7-carboxamide
CID 24786115
1-ethyl-3-(3-methoxypropyl)-2-[[4-(morpholin-4-ylmethyl)phenyl]methyl]guanidine
CID 110975953
N-[2-[4-[6-chloro-7-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]amino]-1H-imidazo[4,5-b]pyridin-2-yl]phenoxy]ethyl]pyridine-4-carboxamide
CID 122446610
2-[2-methoxyethyl(methyl)amino]-N-[2-(3-methoxypropylcarbamoyl)-4-(morpholin-4-ylmethyl)phenyl]-1,3-oxazole-4-carboxamide
CID 143796966
N-[2-(4-hydroxy-2-oxo-1-pyridinyl)ethyl]-2-(4-methylphenyl)-1H-imidazo[4,5-b]pyridine-7-carboxamide
CID 143508177
2-(furan-3-yl)-N-[3-(4-methyl-2,4-dihydroimidazol-3-yl)propyl]-1H-imidazo[4,5-b]pyridine-7-carboxamide
CID 91193302
2-(furan-3-yl)-N-[3-(4-methyl-1,2-dihydroimidazol-3-yl)propyl]-1H-imidazo[4,5-b]pyridine-7-carboxamide
CID 68935746
4-N-(3-methoxypropyl)-2-N-(2-morpholin-4-ylethyl)pyridine-2,4-dicarboxamide
CID 109082488

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-2-[4-(morpholin-4-ylmethyl)phenyl]-1H-imidazo[4,5-b]pyridine-7-carboxamide;hydrochloride?
The IUPAC name of N-(3-methoxypropyl)-2-[4-(morpholin-4-ylmethyl)phenyl]-1H-imidazo[4,5-b]pyridine-7-carboxamide;hydrochloride (CID 68721807) is N-(3-methoxypropyl)-2-[4-(morpholin-4-ylmethyl)phenyl]-1H-imidazo[4,5-b]pyridine-7-carboxamide;hydrochloride.
What is the SMILES notation for N-(3-methoxypropyl)-2-[4-(morpholin-4-ylmethyl)phenyl]-1H-imidazo[4,5-b]pyridine-7-carboxamide;hydrochloride?
The canonical SMILES for N-(3-methoxypropyl)-2-[4-(morpholin-4-ylmethyl)phenyl]-1H-imidazo[4,5-b]pyridine-7-carboxamide;hydrochloride is COCCCNC(=O)c1ccnc2nc(-c3ccc(CN4CCOCC4)cc3)[nH]c12.Cl.
What is the InChIKey of N-(3-methoxypropyl)-2-[4-(morpholin-4-ylmethyl)phenyl]-1H-imidazo[4,5-b]pyridine-7-carboxamide;hydrochloride?
The InChIKey is MMAIRIMTLHILKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O3.ClH/c1-29-12-2-8-24-22(28)18-7-9-23-21-19(18)25-20(26-21)17-5-3-16(4-6-17)15-27-10-13-30-14-11-27;/h3-7,9H,2,8,10-15H2,1H3,(H,24,28)(H,23,25,26);1H.
What are the key properties of N-(3-methoxypropyl)-2-[4-(morpholin-4-ylmethyl)phenyl]-1H-imidazo[4,5-b]pyridine-7-carboxamide;hydrochloride?
N-(3-methoxypropyl)-2-[4-(morpholin-4-ylmethyl)phenyl]-1H-imidazo[4,5-b]pyridine-7-carboxamide;hydrochloride has a molecular weight of 445.95 g/mol, XLogP of 2.65, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-2-[4-(morpholin-4-ylmethyl)phenyl]-1H-imidazo[4,5-b]pyridine-7-carboxamide;hydrochloride is sourced from PubChem (CID 68721807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).