(2-methoxyphenyl)-[3-pyridin-2-yl-5-(thiophen-3-ylmethylamino)pyrazol-1-yl]methanone

C21H18N4O2S — CID 140761099

IUPAC(2-methoxyphenyl)-[3-pyridin-2-yl-5-(thiophen-3-ylmethylamino)pyrazol-1-yl]methanone
SMILESCOc1ccccc1C(=O)n1nc(-c2ccccn2)cc1NCc1ccsc1
InChIInChI=1S/C21H18N4O2S/c1-27-19-8-3-2-6-16(19)21(26)25-20(23-13-15-9-11-28-14-15)12-18(24-25)17-7-4-5-10-22-17/h2-12,14,23H,13H2,1H3
InChIKeyDBAQOCCPFZVQPU-UHFFFAOYSA-N
MW390.47 g/mol
LogP4.32
Rot. Bonds6

About (2-methoxyphenyl)-[3-pyridin-2-yl-5-(thiophen-3-ylmethylamino)pyrazol-1-yl]methanone

(2-methoxyphenyl)-[3-pyridin-2-yl-5-(thiophen-3-ylmethylamino)pyrazol-1-yl]methanone (PubChem CID 140761099) has the molecular formula C21H18N4O2S and a molecular weight of 390.47 g/mol. Its IUPAC name is (2-methoxyphenyl)-[3-pyridin-2-yl-5-(thiophen-3-ylmethylamino)pyrazol-1-yl]methanone.

Molecular Properties

Compound Name(2-methoxyphenyl)-[3-pyridin-2-yl-5-(thiophen-3-ylmethylamino)pyrazol-1-yl]methanone
PubChem CID140761099
Molecular FormulaC21H18N4O2S
Molecular Weight390.47 g/mol
Exact Mass390.12
IUPAC Name(2-methoxyphenyl)-[3-pyridin-2-yl-5-(thiophen-3-ylmethylamino)pyrazol-1-yl]methanone
SMILESCOc1ccccc1C(=O)n1nc(-c2ccccn2)cc1NCc1ccsc1
InChIInChI=1S/C21H18N4O2S/c1-27-19-8-3-2-6-16(19)21(26)25-20(23-13-15-9-11-28-14-15)12-18(24-25)17-7-4-5-10-22-17/h2-12,14,23H,13H2,1H3
InChIKeyDBAQOCCPFZVQPU-UHFFFAOYSA-N
XLogP4.32
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.47
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (2-methoxyphenyl)-[3-pyridin-2-yl-5-(thiophen-3-ylmethylamino)pyrazol-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

US9687479, 22 N-[(5-chlorothiophen-2-yl)methyl]-1-[(2-methoxyphenyl)carbonyl]-3-(pyridin-2-yl)-1H-1,2,4-triazol-5-amine
CID 133081366
2-(2-methoxyphenyl)-5-methyl-N-pyridin-3-yl-7-thien-2-yl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 3243576
2-methoxy-N-{2-[3-({2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl}thio)-1H-indol-1-yl]ethyl}benzamide
CID 3244268
(R)-2-(4-methoxyphenyl)-6-(6-(3-(methylamino)pyrrolidin-1-yl)pyridin-3-yl)thieno[2,3-d]pyridazin-7(6H)-one
CID 11661999
N-[1-(1-{[2-(dimethylamino)-1,3-thiazol-5-yl]methyl}-4-piperidinyl)-1H-pyrazol-5-yl]-2-methoxybenzamide
CID 24791085
N-(1-{1-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-piperidinyl}-1H-pyrazol-5-yl)-2-methoxybenzamide
CID 24793126
N-(4-methoxybenzyl)-3-(3-pyridinyl)-1-(2-thienylcarbonyl)-1H-1,2,4-triazol-5-amine
CID 2239603
US9687479, 278 1-[(2-methoxyphenyl)carbonyl]-3-(pyridin-2-yl)-N-(thiophen-2-ylmethyl)-1H-pyrazol-5-amine
CID 133081351
3-Tert-butyl-4-(2-methoxyphenyl)-5-(5-thiophen-2-yl-2-pyridinyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
CID 58365805
3-Tert-butyl-4-(2-methoxyphenyl)-5-(5-thiophen-3-yl-2-pyridinyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
CID 58365907
US10100058, Example 112
CID 134540068
2-ethoxy-N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)benzamide
CID 165415154

Frequently Asked Questions

What is the IUPAC name of (2-methoxyphenyl)-[3-pyridin-2-yl-5-(thiophen-3-ylmethylamino)pyrazol-1-yl]methanone?
The IUPAC name of (2-methoxyphenyl)-[3-pyridin-2-yl-5-(thiophen-3-ylmethylamino)pyrazol-1-yl]methanone (CID 140761099) is (2-methoxyphenyl)-[3-pyridin-2-yl-5-(thiophen-3-ylmethylamino)pyrazol-1-yl]methanone.
What is the SMILES notation for (2-methoxyphenyl)-[3-pyridin-2-yl-5-(thiophen-3-ylmethylamino)pyrazol-1-yl]methanone?
The canonical SMILES for (2-methoxyphenyl)-[3-pyridin-2-yl-5-(thiophen-3-ylmethylamino)pyrazol-1-yl]methanone is COc1ccccc1C(=O)n1nc(-c2ccccn2)cc1NCc1ccsc1.
What is the InChIKey of (2-methoxyphenyl)-[3-pyridin-2-yl-5-(thiophen-3-ylmethylamino)pyrazol-1-yl]methanone?
The InChIKey is DBAQOCCPFZVQPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O2S/c1-27-19-8-3-2-6-16(19)21(26)25-20(23-13-15-9-11-28-14-15)12-18(24-25)17-7-4-5-10-22-17/h2-12,14,23H,13H2,1H3.
What are the key properties of (2-methoxyphenyl)-[3-pyridin-2-yl-5-(thiophen-3-ylmethylamino)pyrazol-1-yl]methanone?
(2-methoxyphenyl)-[3-pyridin-2-yl-5-(thiophen-3-ylmethylamino)pyrazol-1-yl]methanone has a molecular weight of 390.47 g/mol, XLogP of 4.32, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxyphenyl)-[3-pyridin-2-yl-5-(thiophen-3-ylmethylamino)pyrazol-1-yl]methanone is sourced from PubChem (CID 140761099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).