7-(2-fluoro-4-methoxyphenyl)-2-[(2-methylpyrimidin-5-yl)oxymethyl]thieno[3,2-b]pyridine-5-carboxamide

C21H17FN4O3S — CID 155540306

IUPAC7-(2-fluoro-4-methoxyphenyl)-2-[(2-methylpyrimidin-5-yl)oxymethyl]thieno[3,2-b]pyridine-5-carboxamide
SMILESCOc1ccc(-c2cc(C(N)=O)nc3cc(COc4cnc(C)nc4)sc23)c(F)c1
InChIInChI=1S/C21H17FN4O3S/c1-11-24-8-13(9-25-11)29-10-14-6-18-20(30-14)16(7-19(26-18)21(23)27)15-4-3-12(28-2)5-17(15)22/h3-9H,10H2,1-2H3,(H2,23,27)
InChIKeyWMHRZQKAJIGZJY-UHFFFAOYSA-N
MW424.46 g/mol
LogP3.89
Rot. Bonds6

About 7-(2-fluoro-4-methoxyphenyl)-2-[(2-methylpyrimidin-5-yl)oxymethyl]thieno[3,2-b]pyridine-5-carboxamide

7-(2-fluoro-4-methoxyphenyl)-2-[(2-methylpyrimidin-5-yl)oxymethyl]thieno[3,2-b]pyridine-5-carboxamide (PubChem CID 155540306) has the molecular formula C21H17FN4O3S and a molecular weight of 424.46 g/mol. Its IUPAC name is 7-(2-fluoro-4-methoxyphenyl)-2-[(2-methylpyrimidin-5-yl)oxymethyl]thieno[3,2-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name7-(2-fluoro-4-methoxyphenyl)-2-[(2-methylpyrimidin-5-yl)oxymethyl]thieno[3,2-b]pyridine-5-carboxamide
PubChem CID155540306
Molecular FormulaC21H17FN4O3S
Molecular Weight424.46 g/mol
Exact Mass424.10
IUPAC Name7-(2-fluoro-4-methoxyphenyl)-2-[(2-methylpyrimidin-5-yl)oxymethyl]thieno[3,2-b]pyridine-5-carboxamide
SMILESCOc1ccc(-c2cc(C(N)=O)nc3cc(COc4cnc(C)nc4)sc23)c(F)c1
InChIInChI=1S/C21H17FN4O3S/c1-11-24-8-13(9-25-11)29-10-14-6-18-20(30-14)16(7-19(26-18)21(23)27)15-4-3-12(28-2)5-17(15)22/h3-9H,10H2,1-2H3,(H2,23,27)
InChIKeyWMHRZQKAJIGZJY-UHFFFAOYSA-N
XLogP3.89
TPSA100.22 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.46
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 7-(2-fluoro-4-methoxyphenyl)-2-[(2-methylpyrimidin-5-yl)oxymethyl]thieno[3,2-b]pyridine-5-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

3-(3-Fluoro-4-{[2-(pyrimidin-2-yl)thieno[3,2-b]pyridin-7-yl]oxy}phenyl)-1-(2-phenylacetyl)thiourea
CID 24901711
3-(3-Fluoro-4-{[2-(pyrimidin-5-yl)thieno[3,2-b]pyridin-7-yl]oxy}phenyl)-1-(2-phenylacetyl)thiourea
CID 24901716
N,N-diethyl-6-[[6-(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]amino]pyridine-2-carboxamide
CID 71456120
2-[4-(1-Methylpiperidin-4-yl)-2-propan-2-yloxyanilino]-7-[2-(trifluoromethoxy)phenyl]thieno[3,2-d]pyrimidine-6-carboxamide
CID 71747733
2-[5-Fluoro-4-(1-methylpiperidin-4-yl)-2-propan-2-yloxyanilino]-7-(2-methoxy-3-pyridinyl)thieno[3,2-d]pyrimidine-6-carboxamide
CID 89823761
(4-Methoxyphenyl)(2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidin-4-yl)methanone
CID 46883205
7-(4-Fluorophenyl)-2-[(6-fluoro-3-pyridinyl)oxymethyl]thieno[3,2-b]pyridine-5-carboxamide
CID 155515940
2-[(6-Chloro-3-pyridinyl)oxymethyl]-7-(4-fluorophenyl)thieno[3,2-b]pyridine-5-carboxamide
CID 155521127
7-(4-Methoxyphenyl)-2-[(2-methylpyrimidin-5-yl)oxymethyl]thieno[3,2-b]pyridine-5-carboxamide
CID 155538001
7-(4-Fluorophenyl)-2-[(6-methyl-3-pyridinyl)oxymethyl]thieno[3,2-b]pyridine-5-carboxamide
CID 155551226
7-(4-Fluorophenyl)-2-[(2-methylpyrimidin-5-yl)oxymethyl]thieno[3,2-b]pyridine-5-carboxamide
CID 155554668
7-(4-Fluorophenyl)-2-(pyrimidin-5-yloxymethyl)thieno[3,2-b]pyridine-5-carboxamide
CID 155559283

Frequently Asked Questions

What is the IUPAC name of 7-(2-fluoro-4-methoxyphenyl)-2-[(2-methylpyrimidin-5-yl)oxymethyl]thieno[3,2-b]pyridine-5-carboxamide?
The IUPAC name of 7-(2-fluoro-4-methoxyphenyl)-2-[(2-methylpyrimidin-5-yl)oxymethyl]thieno[3,2-b]pyridine-5-carboxamide (CID 155540306) is 7-(2-fluoro-4-methoxyphenyl)-2-[(2-methylpyrimidin-5-yl)oxymethyl]thieno[3,2-b]pyridine-5-carboxamide.
What is the SMILES notation for 7-(2-fluoro-4-methoxyphenyl)-2-[(2-methylpyrimidin-5-yl)oxymethyl]thieno[3,2-b]pyridine-5-carboxamide?
The canonical SMILES for 7-(2-fluoro-4-methoxyphenyl)-2-[(2-methylpyrimidin-5-yl)oxymethyl]thieno[3,2-b]pyridine-5-carboxamide is COc1ccc(-c2cc(C(N)=O)nc3cc(COc4cnc(C)nc4)sc23)c(F)c1.
What is the InChIKey of 7-(2-fluoro-4-methoxyphenyl)-2-[(2-methylpyrimidin-5-yl)oxymethyl]thieno[3,2-b]pyridine-5-carboxamide?
The InChIKey is WMHRZQKAJIGZJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN4O3S/c1-11-24-8-13(9-25-11)29-10-14-6-18-20(30-14)16(7-19(26-18)21(23)27)15-4-3-12(28-2)5-17(15)22/h3-9H,10H2,1-2H3,(H2,23,27).
What are the key properties of 7-(2-fluoro-4-methoxyphenyl)-2-[(2-methylpyrimidin-5-yl)oxymethyl]thieno[3,2-b]pyridine-5-carboxamide?
7-(2-fluoro-4-methoxyphenyl)-2-[(2-methylpyrimidin-5-yl)oxymethyl]thieno[3,2-b]pyridine-5-carboxamide has a molecular weight of 424.46 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-fluoro-4-methoxyphenyl)-2-[(2-methylpyrimidin-5-yl)oxymethyl]thieno[3,2-b]pyridine-5-carboxamide is sourced from PubChem (CID 155540306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).