N-(3-cyanophenyl)-2-[3-(6-methyl-2-pyridinyl)-4-thieno[3,2-c]pyridin-2-ylpyrazol-1-yl]acetamide

C25H18N6OS — CID 155546431

IUPACN-(3-cyanophenyl)-2-[3-(6-methyl-2-pyridinyl)-4-thieno[3,2-c]pyridin-2-ylpyrazol-1-yl]acetamide
SMILESCc1cccc(-c2nn(CC(=O)Nc3cccc(C#N)c3)cc2-c2cc3cnccc3s2)n1
InChIInChI=1S/C25H18N6OS/c1-16-4-2-7-21(28-16)25-20(23-11-18-13-27-9-8-22(18)33-23)14-31(30-25)15-24(32)29-19-6-3-5-17(10-19)12-26/h2-11,13-14H,15H2,1H3,(H,29,32)
InChIKeyLKUXFOGPQZASDQ-UHFFFAOYSA-N
MW450.53 g/mol
LogP5.04
Rot. Bonds5

About N-(3-cyanophenyl)-2-[3-(6-methyl-2-pyridinyl)-4-thieno[3,2-c]pyridin-2-ylpyrazol-1-yl]acetamide

N-(3-cyanophenyl)-2-[3-(6-methyl-2-pyridinyl)-4-thieno[3,2-c]pyridin-2-ylpyrazol-1-yl]acetamide (PubChem CID 155546431) has the molecular formula C25H18N6OS and a molecular weight of 450.53 g/mol. Its IUPAC name is N-(3-cyanophenyl)-2-[3-(6-methyl-2-pyridinyl)-4-thieno[3,2-c]pyridin-2-ylpyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-2-[3-(6-methyl-2-pyridinyl)-4-thieno[3,2-c]pyridin-2-ylpyrazol-1-yl]acetamide
PubChem CID155546431
Molecular FormulaC25H18N6OS
Molecular Weight450.53 g/mol
Exact Mass450.13
IUPAC NameN-(3-cyanophenyl)-2-[3-(6-methyl-2-pyridinyl)-4-thieno[3,2-c]pyridin-2-ylpyrazol-1-yl]acetamide
SMILESCc1cccc(-c2nn(CC(=O)Nc3cccc(C#N)c3)cc2-c2cc3cnccc3s2)n1
InChIInChI=1S/C25H18N6OS/c1-16-4-2-7-21(28-16)25-20(23-11-18-13-27-9-8-22(18)33-23)14-31(30-25)15-24(32)29-19-6-3-5-17(10-19)12-26/h2-11,13-14H,15H2,1H3,(H,29,32)
InChIKeyLKUXFOGPQZASDQ-UHFFFAOYSA-N
XLogP5.04
TPSA96.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.53
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-(4-methyl-1H-indol-5-ylamino)-2-(3-oxo-3-(piperazin-1-yl)prop-1-enyl)thieno[2,3-b]pyridine-5-carbonitrile
CID 44578755
4-(4-methyl-1H-indol-5-ylamino)-2-(3-(4-methylpiperazin-1-yl)-3-oxoprop-1-enyl)thieno[2,3-b]pyridine-5-carbonitrile
CID 44578756
N-[2-cyano-3-(1-methylindazol-4-yl)phenyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
CID 132229917
N-(2-fluorophenyl)-2-[3-(6-methyl-2-pyridinyl)-4-thieno[3,2-c]pyridin-2-ylpyrazol-1-yl]acetamide
CID 155528043
N-(3-cyanophenyl)-2-[3-(6-methyl-2-pyridinyl)-4-thieno[3,2-c]pyridin-2-ylpyrazol-1-yl]ethanethioamide
CID 155539034
N-(3-fluorophenyl)-2-[3-(6-methyl-2-pyridinyl)-4-thieno[3,2-c]pyridin-2-ylpyrazol-1-yl]acetamide
CID 155541940
2-[3-(6-methyl-2-pyridinyl)-4-thieno[3,2-c]pyridin-2-ylpyrazol-1-yl]-N-phenylacetamide
CID 155553747
N-(3-fluorophenyl)-2-[3-(6-methyl-2-pyridinyl)-4-thieno[3,2-c]pyridin-2-ylpyrazol-1-yl]ethanethioamide
CID 155562494
13-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]-5-[(E)-4-[methyl(propan-2-yl)amino]but-2-enoyl]-8-thia-5,10-diazatricyclo[7.4.0.02,7]trideca-1(13),2(7),9,11-tetraene-12-carbonitrile
CID 58116927
US11046686, Example 25
CID 146382312
US11046686, Example 24
CID 146441323
US11046686, Example 21
CID 146441339

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-2-[3-(6-methyl-2-pyridinyl)-4-thieno[3,2-c]pyridin-2-ylpyrazol-1-yl]acetamide?
The IUPAC name of N-(3-cyanophenyl)-2-[3-(6-methyl-2-pyridinyl)-4-thieno[3,2-c]pyridin-2-ylpyrazol-1-yl]acetamide (CID 155546431) is N-(3-cyanophenyl)-2-[3-(6-methyl-2-pyridinyl)-4-thieno[3,2-c]pyridin-2-ylpyrazol-1-yl]acetamide.
What is the SMILES notation for N-(3-cyanophenyl)-2-[3-(6-methyl-2-pyridinyl)-4-thieno[3,2-c]pyridin-2-ylpyrazol-1-yl]acetamide?
The canonical SMILES for N-(3-cyanophenyl)-2-[3-(6-methyl-2-pyridinyl)-4-thieno[3,2-c]pyridin-2-ylpyrazol-1-yl]acetamide is Cc1cccc(-c2nn(CC(=O)Nc3cccc(C#N)c3)cc2-c2cc3cnccc3s2)n1.
What is the InChIKey of N-(3-cyanophenyl)-2-[3-(6-methyl-2-pyridinyl)-4-thieno[3,2-c]pyridin-2-ylpyrazol-1-yl]acetamide?
The InChIKey is LKUXFOGPQZASDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18N6OS/c1-16-4-2-7-21(28-16)25-20(23-11-18-13-27-9-8-22(18)33-23)14-31(30-25)15-24(32)29-19-6-3-5-17(10-19)12-26/h2-11,13-14H,15H2,1H3,(H,29,32).
What are the key properties of N-(3-cyanophenyl)-2-[3-(6-methyl-2-pyridinyl)-4-thieno[3,2-c]pyridin-2-ylpyrazol-1-yl]acetamide?
N-(3-cyanophenyl)-2-[3-(6-methyl-2-pyridinyl)-4-thieno[3,2-c]pyridin-2-ylpyrazol-1-yl]acetamide has a molecular weight of 450.53 g/mol, XLogP of 5.04, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-2-[3-(6-methyl-2-pyridinyl)-4-thieno[3,2-c]pyridin-2-ylpyrazol-1-yl]acetamide is sourced from PubChem (CID 155546431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).