3-(2-methoxyphenyl)-2-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-b]pyridin-5-amine

C19H18N4OS — CID 139454099

IUPAC3-(2-methoxyphenyl)-2-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-b]pyridin-5-amine
SMILESCOc1ccccc1-c1c(C)sc2ccc(Nc3cnn(C)c3)nc12
InChIInChI=1S/C19H18N4OS/c1-12-18(14-6-4-5-7-15(14)24-3)19-16(25-12)8-9-17(22-19)21-13-10-20-23(2)11-13/h4-11H,1-3H3,(H,21,22)
InChIKeyLKANSLPVFTVDPM-UHFFFAOYSA-N
MW350.45 g/mol
LogP4.76
Rot. Bonds4

About 3-(2-methoxyphenyl)-2-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-b]pyridin-5-amine

3-(2-methoxyphenyl)-2-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-b]pyridin-5-amine (PubChem CID 139454099) has the molecular formula C19H18N4OS and a molecular weight of 350.45 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-2-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-b]pyridin-5-amine.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-2-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-b]pyridin-5-amine
PubChem CID139454099
Molecular FormulaC19H18N4OS
Molecular Weight350.45 g/mol
Exact Mass350.12
IUPAC Name3-(2-methoxyphenyl)-2-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-b]pyridin-5-amine
SMILESCOc1ccccc1-c1c(C)sc2ccc(Nc3cnn(C)c3)nc12
InChIInChI=1S/C19H18N4OS/c1-12-18(14-6-4-5-7-15(14)24-3)19-16(25-12)8-9-17(22-19)21-13-10-20-23(2)11-13/h4-11H,1-3H3,(H,21,22)
InChIKeyLKANSLPVFTVDPM-UHFFFAOYSA-N
XLogP4.76
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.45
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-2-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-b]pyridin-5-amine?
The IUPAC name of 3-(2-methoxyphenyl)-2-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-b]pyridin-5-amine (CID 139454099) is 3-(2-methoxyphenyl)-2-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-b]pyridin-5-amine.
What is the SMILES notation for 3-(2-methoxyphenyl)-2-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-b]pyridin-5-amine?
The canonical SMILES for 3-(2-methoxyphenyl)-2-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-b]pyridin-5-amine is COc1ccccc1-c1c(C)sc2ccc(Nc3cnn(C)c3)nc12.
What is the InChIKey of 3-(2-methoxyphenyl)-2-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-b]pyridin-5-amine?
The InChIKey is LKANSLPVFTVDPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4OS/c1-12-18(14-6-4-5-7-15(14)24-3)19-16(25-12)8-9-17(22-19)21-13-10-20-23(2)11-13/h4-11H,1-3H3,(H,21,22).
What are the key properties of 3-(2-methoxyphenyl)-2-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-b]pyridin-5-amine?
3-(2-methoxyphenyl)-2-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-b]pyridin-5-amine has a molecular weight of 350.45 g/mol, XLogP of 4.76, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-2-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-b]pyridin-5-amine is sourced from PubChem (CID 139454099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).