3-(3-methoxyphenyl)-1-methyl-N-pyridin-3-ylthieno[3,2-d]pyrazole-5-carboxamide

C19H16N4O2S — CID 20856300

IUPAC3-(3-methoxyphenyl)-1-methyl-N-pyridin-3-ylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCOc1cccc(-c2nn(C)c3sc(C(=O)Nc4cccnc4)cc23)c1
InChIInChI=1S/C19H16N4O2S/c1-23-19-15(17(22-23)12-5-3-7-14(9-12)25-2)10-16(26-19)18(24)21-13-6-4-8-20-11-13/h3-11H,1-2H3,(H,21,24)
InChIKeyVYWVRIFPHRSADB-UHFFFAOYSA-N
MW364.43 g/mol
LogP3.96
Rot. Bonds4

About 3-(3-methoxyphenyl)-1-methyl-N-pyridin-3-ylthieno[3,2-d]pyrazole-5-carboxamide

3-(3-methoxyphenyl)-1-methyl-N-pyridin-3-ylthieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 20856300) has the molecular formula C19H16N4O2S and a molecular weight of 364.43 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-1-methyl-N-pyridin-3-ylthieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-1-methyl-N-pyridin-3-ylthieno[3,2-d]pyrazole-5-carboxamide
PubChem CID20856300
Molecular FormulaC19H16N4O2S
Molecular Weight364.43 g/mol
Exact Mass364.10
IUPAC Name3-(3-methoxyphenyl)-1-methyl-N-pyridin-3-ylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCOc1cccc(-c2nn(C)c3sc(C(=O)Nc4cccnc4)cc23)c1
InChIInChI=1S/C19H16N4O2S/c1-23-19-15(17(22-23)12-5-3-7-14(9-12)25-2)10-16(26-19)18(24)21-13-6-4-8-20-11-13/h3-11H,1-2H3,(H,21,24)
InChIKeyVYWVRIFPHRSADB-UHFFFAOYSA-N
XLogP3.96
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-1-methyl-N-pyridin-3-ylthieno[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of 3-(3-methoxyphenyl)-1-methyl-N-pyridin-3-ylthieno[3,2-d]pyrazole-5-carboxamide (CID 20856300) is 3-(3-methoxyphenyl)-1-methyl-N-pyridin-3-ylthieno[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for 3-(3-methoxyphenyl)-1-methyl-N-pyridin-3-ylthieno[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for 3-(3-methoxyphenyl)-1-methyl-N-pyridin-3-ylthieno[3,2-d]pyrazole-5-carboxamide is COc1cccc(-c2nn(C)c3sc(C(=O)Nc4cccnc4)cc23)c1.
What is the InChIKey of 3-(3-methoxyphenyl)-1-methyl-N-pyridin-3-ylthieno[3,2-d]pyrazole-5-carboxamide?
The InChIKey is VYWVRIFPHRSADB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2S/c1-23-19-15(17(22-23)12-5-3-7-14(9-12)25-2)10-16(26-19)18(24)21-13-6-4-8-20-11-13/h3-11H,1-2H3,(H,21,24).
What are the key properties of 3-(3-methoxyphenyl)-1-methyl-N-pyridin-3-ylthieno[3,2-d]pyrazole-5-carboxamide?
3-(3-methoxyphenyl)-1-methyl-N-pyridin-3-ylthieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 364.43 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-1-methyl-N-pyridin-3-ylthieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 20856300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).