N-[[6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]acetamide

C36H42FN3O7S — CID 58207710

IUPACN-[[6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]acetamide
SMILESCOCCOCCOCCOCCN(Cc1ccc(-c2cc3nccc(Oc4ccc(CC(=O)CC5CC5)cc4F)c3s2)nc1)C(C)=O
InChIInChI=1S/C36H42FN3O7S/c1-25(41)40(11-12-44-15-16-46-18-17-45-14-13-43-2)24-28-5-7-31(39-23-28)35-22-32-36(48-35)34(9-10-38-32)47-33-8-6-27(21-30(33)37)20-29(42)19-26-3-4-26/h5-10,21-23,26H,3-4,11-20,24H2,1-2H3
InChIKeyZKZZYWAOLKWVHW-UHFFFAOYSA-N
MW679.81 g/mol
LogP6.25
Rot. Bonds21

About N-[[6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]acetamide

N-[[6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]acetamide (PubChem CID 58207710) has the molecular formula C36H42FN3O7S and a molecular weight of 679.81 g/mol. Its IUPAC name is N-[[6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]acetamide.

Molecular Properties

Compound NameN-[[6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]acetamide
PubChem CID58207710
Molecular FormulaC36H42FN3O7S
Molecular Weight679.81 g/mol
Exact Mass679.27
IUPAC NameN-[[6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]acetamide
SMILESCOCCOCCOCCOCCN(Cc1ccc(-c2cc3nccc(Oc4ccc(CC(=O)CC5CC5)cc4F)c3s2)nc1)C(C)=O
InChIInChI=1S/C36H42FN3O7S/c1-25(41)40(11-12-44-15-16-46-18-17-45-14-13-43-2)24-28-5-7-31(39-23-28)35-22-32-36(48-35)34(9-10-38-32)47-33-8-6-27(21-30(33)37)20-29(42)19-26-3-4-26/h5-10,21-23,26H,3-4,11-20,24H2,1-2H3
InChIKeyZKZZYWAOLKWVHW-UHFFFAOYSA-N
XLogP6.25
TPSA109.31 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds21
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500679.81
LogP ≤ 56.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze N-[[6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]acetamide 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

Sitravatinib
CID 25212148
Glesatinib
CID 25181472
7-(4-Fluorophenyl)-2-[(6-methyl-3-pyridinyl)oxymethyl]thieno[3,2-b]pyridine-5-carboxamide
CID 155551226
7-(4-Fluorophenyl)-2-[(2-methyl-3-pyridinyl)oxymethyl]thieno[3,2-b]pyridine-5-carboxamide
CID 155564600
2-[(6-Fluoro-3-pyridinyl)oxymethyl]-7-(4-methoxyphenyl)thieno[3,2-b]pyridine-5-carboxamide
CID 155514808
Tyrosine kinase-IN-6
CID 139511480
4-ethoxy-N-[3-fluoro-4-[2-[5-(morpholin-4-ylmethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-2-oxo-1-phenylpyridine-3-carboxamide
CID 139511541
4-ethoxy-N-[3-fluoro-4-[2-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide
CID 139511579
tert-butyl N-[[6-[7-[4-[[4-ethoxy-1-(4-fluorophenyl)-2-oxopyridine-3-carbonyl]amino]-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-(2-methoxyethyl)carbamate
CID 139520474
4-[2-(dimethylamino)ethoxy]-N-[3-fluoro-4-[2-[5-(morpholin-4-ylmethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide
CID 172440580
N-[3-fluoro-4-[2-[5-(morpholin-4-ylmethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-1-(4-fluorophenyl)-4-(2-methylpropoxy)-2-oxopyridine-3-carboxamide
CID 172443327
N-[3,5-difluoro-4-[2-[5-(morpholin-4-ylmethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-4-ethoxy-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide
CID 172443384

Frequently Asked Questions

What is the IUPAC name of N-[[6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]acetamide?
The IUPAC name of N-[[6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]acetamide (CID 58207710) is N-[[6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]acetamide.
What is the SMILES notation for N-[[6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]acetamide?
The canonical SMILES for N-[[6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]acetamide is COCCOCCOCCOCCN(Cc1ccc(-c2cc3nccc(Oc4ccc(CC(=O)CC5CC5)cc4F)c3s2)nc1)C(C)=O.
What is the InChIKey of N-[[6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]acetamide?
The InChIKey is ZKZZYWAOLKWVHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H42FN3O7S/c1-25(41)40(11-12-44-15-16-46-18-17-45-14-13-43-2)24-28-5-7-31(39-23-28)35-22-32-36(48-35)34(9-10-38-32)47-33-8-6-27(21-30(33)37)20-29(42)19-26-3-4-26/h5-10,21-23,26H,3-4,11-20,24H2,1-2H3.
What are the key properties of N-[[6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]acetamide?
N-[[6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]acetamide has a molecular weight of 679.81 g/mol, XLogP of 6.25, 21 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]acetamide is sourced from PubChem (CID 58207710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).