1,3-dimethyl-N-[[2-(2-propoxyphenoxy)-3-pyridinyl]methyl]thieno[3,2-d]pyrazole-5-carboxamide

C23H24N4O3S — CID 78891140

IUPAC1,3-dimethyl-N-[[2-(2-propoxyphenoxy)-3-pyridinyl]methyl]thieno[3,2-d]pyrazole-5-carboxamide
SMILESCCCOc1ccccc1Oc1ncccc1CNC(=O)c1cc2c(C)nn(C)c2s1
InChIInChI=1S/C23H24N4O3S/c1-4-12-29-18-9-5-6-10-19(18)30-22-16(8-7-11-24-22)14-25-21(28)20-13-17-15(2)26-27(3)23(17)31-20/h5-11,13H,4,12,14H2,1-3H3,(H,25,28)
InChIKeyAGHDBKYJFSGAGU-UHFFFAOYSA-N
MW436.54 g/mol
LogP4.85
Rot. Bonds8

About 1,3-dimethyl-N-[[2-(2-propoxyphenoxy)-3-pyridinyl]methyl]thieno[3,2-d]pyrazole-5-carboxamide

1,3-dimethyl-N-[[2-(2-propoxyphenoxy)-3-pyridinyl]methyl]thieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 78891140) has the molecular formula C23H24N4O3S and a molecular weight of 436.54 g/mol. Its IUPAC name is 1,3-dimethyl-N-[[2-(2-propoxyphenoxy)-3-pyridinyl]methyl]thieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound Name1,3-dimethyl-N-[[2-(2-propoxyphenoxy)-3-pyridinyl]methyl]thieno[3,2-d]pyrazole-5-carboxamide
PubChem CID78891140
Molecular FormulaC23H24N4O3S
Molecular Weight436.54 g/mol
Exact Mass436.16
IUPAC Name1,3-dimethyl-N-[[2-(2-propoxyphenoxy)-3-pyridinyl]methyl]thieno[3,2-d]pyrazole-5-carboxamide
SMILESCCCOc1ccccc1Oc1ncccc1CNC(=O)c1cc2c(C)nn(C)c2s1
InChIInChI=1S/C23H24N4O3S/c1-4-12-29-18-9-5-6-10-19(18)30-22-16(8-7-11-24-22)14-25-21(28)20-13-17-15(2)26-27(3)23(17)31-20/h5-11,13H,4,12,14H2,1-3H3,(H,25,28)
InChIKeyAGHDBKYJFSGAGU-UHFFFAOYSA-N
XLogP4.85
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.54
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-[[2-(2-propoxyphenoxy)-3-pyridinyl]methyl]thieno[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of 1,3-dimethyl-N-[[2-(2-propoxyphenoxy)-3-pyridinyl]methyl]thieno[3,2-d]pyrazole-5-carboxamide (CID 78891140) is 1,3-dimethyl-N-[[2-(2-propoxyphenoxy)-3-pyridinyl]methyl]thieno[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for 1,3-dimethyl-N-[[2-(2-propoxyphenoxy)-3-pyridinyl]methyl]thieno[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for 1,3-dimethyl-N-[[2-(2-propoxyphenoxy)-3-pyridinyl]methyl]thieno[3,2-d]pyrazole-5-carboxamide is CCCOc1ccccc1Oc1ncccc1CNC(=O)c1cc2c(C)nn(C)c2s1.
What is the InChIKey of 1,3-dimethyl-N-[[2-(2-propoxyphenoxy)-3-pyridinyl]methyl]thieno[3,2-d]pyrazole-5-carboxamide?
The InChIKey is AGHDBKYJFSGAGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3S/c1-4-12-29-18-9-5-6-10-19(18)30-22-16(8-7-11-24-22)14-25-21(28)20-13-17-15(2)26-27(3)23(17)31-20/h5-11,13H,4,12,14H2,1-3H3,(H,25,28).
What are the key properties of 1,3-dimethyl-N-[[2-(2-propoxyphenoxy)-3-pyridinyl]methyl]thieno[3,2-d]pyrazole-5-carboxamide?
1,3-dimethyl-N-[[2-(2-propoxyphenoxy)-3-pyridinyl]methyl]thieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 436.54 g/mol, XLogP of 4.85, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-[[2-(2-propoxyphenoxy)-3-pyridinyl]methyl]thieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 78891140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).