2-[(3-fluoro-2-methylanilino)methyl]-6-(3-methoxyphenyl)thieno[2,3-b]pyridin-3-amine

C22H20FN3OS — CID 123147189

IUPAC2-[(3-fluoro-2-methylanilino)methyl]-6-(3-methoxyphenyl)thieno[2,3-b]pyridin-3-amine
SMILESCOc1cccc(-c2ccc3c(N)c(CNc4cccc(F)c4C)sc3n2)c1
InChIInChI=1S/C22H20FN3OS/c1-13-17(23)7-4-8-18(13)25-12-20-21(24)16-9-10-19(26-22(16)28-20)14-5-3-6-15(11-14)27-2/h3-11,25H,12,24H2,1-2H3
InChIKeyKPMTVEOITJBHOL-UHFFFAOYSA-N
MW393.49 g/mol
LogP5.61
Rot. Bonds5

About 2-[(3-fluoro-2-methylanilino)methyl]-6-(3-methoxyphenyl)thieno[2,3-b]pyridin-3-amine

2-[(3-fluoro-2-methylanilino)methyl]-6-(3-methoxyphenyl)thieno[2,3-b]pyridin-3-amine (PubChem CID 123147189) has the molecular formula C22H20FN3OS and a molecular weight of 393.49 g/mol. Its IUPAC name is 2-[(3-fluoro-2-methylanilino)methyl]-6-(3-methoxyphenyl)thieno[2,3-b]pyridin-3-amine.

Molecular Properties

Compound Name2-[(3-fluoro-2-methylanilino)methyl]-6-(3-methoxyphenyl)thieno[2,3-b]pyridin-3-amine
PubChem CID123147189
Molecular FormulaC22H20FN3OS
Molecular Weight393.49 g/mol
Exact Mass393.13
IUPAC Name2-[(3-fluoro-2-methylanilino)methyl]-6-(3-methoxyphenyl)thieno[2,3-b]pyridin-3-amine
SMILESCOc1cccc(-c2ccc3c(N)c(CNc4cccc(F)c4C)sc3n2)c1
InChIInChI=1S/C22H20FN3OS/c1-13-17(23)7-4-8-18(13)25-12-20-21(24)16-9-10-19(26-22(16)28-20)14-5-3-6-15(11-14)27-2/h3-11,25H,12,24H2,1-2H3
InChIKeyKPMTVEOITJBHOL-UHFFFAOYSA-N
XLogP5.61
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.49
LogP ≤ 55.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(3-fluoro-2-methylanilino)methyl]-6-(3-methoxyphenyl)thieno[2,3-b]pyridin-3-amine with MolForge

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Related Compounds

3-amino-N-[2-(4-fluorophenyl)ethyl]-6-(3-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 1003840
3-amino-N-(4-methoxy-2-methylphenyl)-6-(3-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 1239621
3-amino-N-[(4-chlorophenyl)methyl]-6-(3-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 1003890
3-amino-N-[3-(bromomethyl)-4-methylphenyl]-6-(3-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 123642974
1-[3-amino-6-(3-methoxyphenyl)thieno[2,3-b]pyridin-2-yl]-2-(3,4-dimethoxyphenyl)ethanone
CID 159486708
3-fluoro-1-N-[(3-methoxyphenyl)methyl]benzene-1,2-diamine
CID 54911085
3-amino-6-(3-methoxyphenyl)-N-[5-(trifluoromethyl)-2-pyridinyl]thieno[2,3-b]pyridine-2-carboxamide
CID 87047876
N-[(3,5-dibromo-2-methoxyphenyl)methyl]-3-fluoro-2-methylaniline
CID 63454694
ethyl 3-amino-6-pyridin-3-ylthieno[2,3-b]pyridine-2-carboxylate
CID 753891
3-fluoro-2-methyl-N-(naphthalen-1-ylmethyl)aniline
CID 63453833
4-(3-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]pyrimidin-2-amine
CID 71655715
4-(2-fluorophenyl)-6-(3-methoxyphenyl)pyrimidin-2-amine
CID 75359921

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluoro-2-methylanilino)methyl]-6-(3-methoxyphenyl)thieno[2,3-b]pyridin-3-amine?
The IUPAC name of 2-[(3-fluoro-2-methylanilino)methyl]-6-(3-methoxyphenyl)thieno[2,3-b]pyridin-3-amine (CID 123147189) is 2-[(3-fluoro-2-methylanilino)methyl]-6-(3-methoxyphenyl)thieno[2,3-b]pyridin-3-amine.
What is the SMILES notation for 2-[(3-fluoro-2-methylanilino)methyl]-6-(3-methoxyphenyl)thieno[2,3-b]pyridin-3-amine?
The canonical SMILES for 2-[(3-fluoro-2-methylanilino)methyl]-6-(3-methoxyphenyl)thieno[2,3-b]pyridin-3-amine is COc1cccc(-c2ccc3c(N)c(CNc4cccc(F)c4C)sc3n2)c1.
What is the InChIKey of 2-[(3-fluoro-2-methylanilino)methyl]-6-(3-methoxyphenyl)thieno[2,3-b]pyridin-3-amine?
The InChIKey is KPMTVEOITJBHOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN3OS/c1-13-17(23)7-4-8-18(13)25-12-20-21(24)16-9-10-19(26-22(16)28-20)14-5-3-6-15(11-14)27-2/h3-11,25H,12,24H2,1-2H3.
What are the key properties of 2-[(3-fluoro-2-methylanilino)methyl]-6-(3-methoxyphenyl)thieno[2,3-b]pyridin-3-amine?
2-[(3-fluoro-2-methylanilino)methyl]-6-(3-methoxyphenyl)thieno[2,3-b]pyridin-3-amine has a molecular weight of 393.49 g/mol, XLogP of 5.61, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluoro-2-methylanilino)methyl]-6-(3-methoxyphenyl)thieno[2,3-b]pyridin-3-amine is sourced from PubChem (CID 123147189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).