3-(2-methoxyethoxymethyl)-N-(4-methoxyphenyl)-2-[5-[(4-methoxyphenyl)carbamoyl]-3-pyridinyl]imidazo[4,5-b]pyridine-6-carboxamide

C31H30N6O6 — CID 134852159

IUPAC3-(2-methoxyethoxymethyl)-N-(4-methoxyphenyl)-2-[5-[(4-methoxyphenyl)carbamoyl]-3-pyridinyl]imidazo[4,5-b]pyridine-6-carboxamide
SMILESCOCCOCn1c(-c2cncc(C(=O)Nc3ccc(OC)cc3)c2)nc2cc(C(=O)Nc3ccc(OC)cc3)cnc21
InChIInChI=1S/C31H30N6O6/c1-40-12-13-43-19-37-28(20-14-21(17-32-16-20)30(38)34-23-4-8-25(41-2)9-5-23)36-27-15-22(18-33-29(27)37)31(39)35-24-6-10-26(42-3)11-7-24/h4-11,14-18H,12-13,19H2,1-3H3,(H,34,38)(H,35,39)
InChIKeyQIOAGDDVIGUKMN-UHFFFAOYSA-N
MW582.62 g/mol
LogP4.64
Rot. Bonds12

About 3-(2-methoxyethoxymethyl)-N-(4-methoxyphenyl)-2-[5-[(4-methoxyphenyl)carbamoyl]-3-pyridinyl]imidazo[4,5-b]pyridine-6-carboxamide

3-(2-methoxyethoxymethyl)-N-(4-methoxyphenyl)-2-[5-[(4-methoxyphenyl)carbamoyl]-3-pyridinyl]imidazo[4,5-b]pyridine-6-carboxamide (PubChem CID 134852159) has the molecular formula C31H30N6O6 and a molecular weight of 582.62 g/mol. Its IUPAC name is 3-(2-methoxyethoxymethyl)-N-(4-methoxyphenyl)-2-[5-[(4-methoxyphenyl)carbamoyl]-3-pyridinyl]imidazo[4,5-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name3-(2-methoxyethoxymethyl)-N-(4-methoxyphenyl)-2-[5-[(4-methoxyphenyl)carbamoyl]-3-pyridinyl]imidazo[4,5-b]pyridine-6-carboxamide
PubChem CID134852159
Molecular FormulaC31H30N6O6
Molecular Weight582.62 g/mol
Exact Mass582.22
IUPAC Name3-(2-methoxyethoxymethyl)-N-(4-methoxyphenyl)-2-[5-[(4-methoxyphenyl)carbamoyl]-3-pyridinyl]imidazo[4,5-b]pyridine-6-carboxamide
SMILESCOCCOCn1c(-c2cncc(C(=O)Nc3ccc(OC)cc3)c2)nc2cc(C(=O)Nc3ccc(OC)cc3)cnc21
InChIInChI=1S/C31H30N6O6/c1-40-12-13-43-19-37-28(20-14-21(17-32-16-20)30(38)34-23-4-8-25(41-2)9-5-23)36-27-15-22(18-33-29(27)37)31(39)35-24-6-10-26(42-3)11-7-24/h4-11,14-18H,12-13,19H2,1-3H3,(H,34,38)(H,35,39)
InChIKeyQIOAGDDVIGUKMN-UHFFFAOYSA-N
XLogP4.64
TPSA138.72 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500582.62
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 3-(2-methoxyethoxymethyl)-N-(4-methoxyphenyl)-2-[5-[(4-methoxyphenyl)carbamoyl]-3-pyridinyl]imidazo[4,5-b]pyridine-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Bay 61-3606
CID 10200390
3-{8-[(3,4-Dimethoxyphenyl)amino]imidazo[1,2-A]pyrazin-6-Yl}benzamide
CID 69000930
4-(6-azanyl-2-pyridin-4-yl-purin-9-yl)-~{N}-(3-methoxyphenyl)cyclohexane-1-carboxamide
CID 134214787
N-(3-(4-(4-Methoxyphenyl)piperazin-1-yl)propyl)-2-(1-methyl-6-oxopyrido[2,3-e]pyrrolo[1,2-a]pyrazin-5(6H)-yl)acetamide
CID 44665680
7-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 68234668
{4-[2-trans-(4-Amino-cyclohexylamino)-9-(4-ethoxy-phenyl)-9H-purin-6-ylamino]-phenyl}-piperidin-1-yl-methanone
CID 24762171
7-[3-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]propylamino]-N,N,2,3-tetramethylimidazo[4,5-b]pyridine-6-carboxamide
CID 10743446
2-methyl-6-(1-methylbenzimidazol-5-yl)oxy-3-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]pyrido[3,4-d]pyrimidin-4-one
CID 57401800
N-[3-[2-[4-(3-morpholin-4-ylpropoxy)anilino]purin-9-yl]phenyl]prop-2-enamide
CID 134137307
N-[5-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide
CID 10154537
4-[4-[3-(Dimethylamino)propoxy]anilino]-9-(2,6-dimethylphenyl)-1,3,5,9,11-pentazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,10,12,14,16-heptaen-8-one
CID 11214762
BAY 61-3606 dihydrochloride
CID 11784504

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethoxymethyl)-N-(4-methoxyphenyl)-2-[5-[(4-methoxyphenyl)carbamoyl]-3-pyridinyl]imidazo[4,5-b]pyridine-6-carboxamide?
The IUPAC name of 3-(2-methoxyethoxymethyl)-N-(4-methoxyphenyl)-2-[5-[(4-methoxyphenyl)carbamoyl]-3-pyridinyl]imidazo[4,5-b]pyridine-6-carboxamide (CID 134852159) is 3-(2-methoxyethoxymethyl)-N-(4-methoxyphenyl)-2-[5-[(4-methoxyphenyl)carbamoyl]-3-pyridinyl]imidazo[4,5-b]pyridine-6-carboxamide.
What is the SMILES notation for 3-(2-methoxyethoxymethyl)-N-(4-methoxyphenyl)-2-[5-[(4-methoxyphenyl)carbamoyl]-3-pyridinyl]imidazo[4,5-b]pyridine-6-carboxamide?
The canonical SMILES for 3-(2-methoxyethoxymethyl)-N-(4-methoxyphenyl)-2-[5-[(4-methoxyphenyl)carbamoyl]-3-pyridinyl]imidazo[4,5-b]pyridine-6-carboxamide is COCCOCn1c(-c2cncc(C(=O)Nc3ccc(OC)cc3)c2)nc2cc(C(=O)Nc3ccc(OC)cc3)cnc21.
What is the InChIKey of 3-(2-methoxyethoxymethyl)-N-(4-methoxyphenyl)-2-[5-[(4-methoxyphenyl)carbamoyl]-3-pyridinyl]imidazo[4,5-b]pyridine-6-carboxamide?
The InChIKey is QIOAGDDVIGUKMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30N6O6/c1-40-12-13-43-19-37-28(20-14-21(17-32-16-20)30(38)34-23-4-8-25(41-2)9-5-23)36-27-15-22(18-33-29(27)37)31(39)35-24-6-10-26(42-3)11-7-24/h4-11,14-18H,12-13,19H2,1-3H3,(H,34,38)(H,35,39).
What are the key properties of 3-(2-methoxyethoxymethyl)-N-(4-methoxyphenyl)-2-[5-[(4-methoxyphenyl)carbamoyl]-3-pyridinyl]imidazo[4,5-b]pyridine-6-carboxamide?
3-(2-methoxyethoxymethyl)-N-(4-methoxyphenyl)-2-[5-[(4-methoxyphenyl)carbamoyl]-3-pyridinyl]imidazo[4,5-b]pyridine-6-carboxamide has a molecular weight of 582.62 g/mol, XLogP of 4.64, 12 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethoxymethyl)-N-(4-methoxyphenyl)-2-[5-[(4-methoxyphenyl)carbamoyl]-3-pyridinyl]imidazo[4,5-b]pyridine-6-carboxamide is sourced from PubChem (CID 134852159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).