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

C20H18N4O2S — CID 3240479

IUPAC3-(3-methoxyphenyl)-1-methyl-N-(pyridin-2-ylmethyl)thieno[3,2-d]pyrazole-5-carboxamide
SMILESCOc1cccc(-c2nn(C)c3sc(C(=O)NCc4ccccn4)cc23)c1
InChIInChI=1S/C20H18N4O2S/c1-24-20-16(18(23-24)13-6-5-8-15(10-13)26-2)11-17(27-20)19(25)22-12-14-7-3-4-9-21-14/h3-11H,12H2,1-2H3,(H,22,25)
InChIKeyZCXNBIFNYDXBBK-UHFFFAOYSA-N
MW378.46 g/mol
LogP3.64
Rot. Bonds5

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

3-(3-methoxyphenyl)-1-methyl-N-(pyridin-2-ylmethyl)thieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 3240479) has the molecular formula C20H18N4O2S and a molecular weight of 378.46 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-1-methyl-N-(pyridin-2-ylmethyl)thieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-1-methyl-N-(pyridin-2-ylmethyl)thieno[3,2-d]pyrazole-5-carboxamide
PubChem CID3240479
Molecular FormulaC20H18N4O2S
Molecular Weight378.46 g/mol
Exact Mass378.12
IUPAC Name3-(3-methoxyphenyl)-1-methyl-N-(pyridin-2-ylmethyl)thieno[3,2-d]pyrazole-5-carboxamide
SMILESCOc1cccc(-c2nn(C)c3sc(C(=O)NCc4ccccn4)cc23)c1
InChIInChI=1S/C20H18N4O2S/c1-24-20-16(18(23-24)13-6-5-8-15(10-13)26-2)11-17(27-20)19(25)22-12-14-7-3-4-9-21-14/h3-11H,12H2,1-2H3,(H,22,25)
InChIKeyZCXNBIFNYDXBBK-UHFFFAOYSA-N
XLogP3.64
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.46
LogP ≤ 53.64
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-2-ylmethyl)thieno[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of 3-(3-methoxyphenyl)-1-methyl-N-(pyridin-2-ylmethyl)thieno[3,2-d]pyrazole-5-carboxamide (CID 3240479) is 3-(3-methoxyphenyl)-1-methyl-N-(pyridin-2-ylmethyl)thieno[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for 3-(3-methoxyphenyl)-1-methyl-N-(pyridin-2-ylmethyl)thieno[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for 3-(3-methoxyphenyl)-1-methyl-N-(pyridin-2-ylmethyl)thieno[3,2-d]pyrazole-5-carboxamide is COc1cccc(-c2nn(C)c3sc(C(=O)NCc4ccccn4)cc23)c1.
What is the InChIKey of 3-(3-methoxyphenyl)-1-methyl-N-(pyridin-2-ylmethyl)thieno[3,2-d]pyrazole-5-carboxamide?
The InChIKey is ZCXNBIFNYDXBBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2S/c1-24-20-16(18(23-24)13-6-5-8-15(10-13)26-2)11-17(27-20)19(25)22-12-14-7-3-4-9-21-14/h3-11H,12H2,1-2H3,(H,22,25).
What are the key properties of 3-(3-methoxyphenyl)-1-methyl-N-(pyridin-2-ylmethyl)thieno[3,2-d]pyrazole-5-carboxamide?
3-(3-methoxyphenyl)-1-methyl-N-(pyridin-2-ylmethyl)thieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 378.46 g/mol, XLogP of 3.64, 5 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-2-ylmethyl)thieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 3240479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).