5-[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]-N-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide

C20H20N4O3S — CID 70757433

IUPAC5-[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]-N-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide
SMILESCNC(=O)c1cc2c(s1)CCN(C(=O)c1cc(-c3cccc(OC)c3)n[nH]1)C2
InChIInChI=1S/C20H20N4O3S/c1-21-19(25)18-9-13-11-24(7-6-17(13)28-18)20(26)16-10-15(22-23-16)12-4-3-5-14(8-12)27-2/h3-5,8-10H,6-7,11H2,1-2H3,(H,21,25)(H,22,23)
InChIKeyDLWBNVPXCFMSIN-UHFFFAOYSA-N
MW396.47 g/mol
LogP2.70
Rot. Bonds4

About 5-[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]-N-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide

5-[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]-N-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide (PubChem CID 70757433) has the molecular formula C20H20N4O3S and a molecular weight of 396.47 g/mol. Its IUPAC name is 5-[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]-N-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]-N-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide
PubChem CID70757433
Molecular FormulaC20H20N4O3S
Molecular Weight396.47 g/mol
Exact Mass396.13
IUPAC Name5-[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]-N-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide
SMILESCNC(=O)c1cc2c(s1)CCN(C(=O)c1cc(-c3cccc(OC)c3)n[nH]1)C2
InChIInChI=1S/C20H20N4O3S/c1-21-19(25)18-9-13-11-24(7-6-17(13)28-18)20(26)16-10-15(22-23-16)12-4-3-5-14(8-12)27-2/h3-5,8-10H,6-7,11H2,1-2H3,(H,21,25)(H,22,23)
InChIKeyDLWBNVPXCFMSIN-UHFFFAOYSA-N
XLogP2.70
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl N-[5-[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate
CID 90527787
(4-aminopiperidin-1-yl)-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]methanone
CID 66485063
(3-fluorophenyl)-[4-[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl]methanone
CID 46969433
(4-chlorophenyl)-[4-[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl]methanone
CID 20910980
[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 20906512
[4-(4-chlorophenyl)piperazin-1-yl]-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]methanone
CID 20906504
ethyl 1-[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]piperidine-4-carboxylate
CID 20918297
[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-[4-[(2-methylphenyl)methyl]piperazin-1-yl]methanone
CID 19515025
N-cyclohexyl-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 19509722
[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]methanone
CID 97115765
3-(3-methoxyphenyl)-N-[2-(methylsulfamoyl)ethyl]-1H-pyrazole-5-carboxamide
CID 70776702
[4-(furan-2-ylmethyl)piperazin-1-yl]-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]methanone
CID 19515033

Frequently Asked Questions

What is the IUPAC name of 5-[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]-N-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide?
The IUPAC name of 5-[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]-N-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide (CID 70757433) is 5-[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]-N-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide.
What is the SMILES notation for 5-[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]-N-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide?
The canonical SMILES for 5-[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]-N-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide is CNC(=O)c1cc2c(s1)CCN(C(=O)c1cc(-c3cccc(OC)c3)n[nH]1)C2.
What is the InChIKey of 5-[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]-N-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide?
The InChIKey is DLWBNVPXCFMSIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3S/c1-21-19(25)18-9-13-11-24(7-6-17(13)28-18)20(26)16-10-15(22-23-16)12-4-3-5-14(8-12)27-2/h3-5,8-10H,6-7,11H2,1-2H3,(H,21,25)(H,22,23).
What are the key properties of 5-[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]-N-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide?
5-[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]-N-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide has a molecular weight of 396.47 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]-N-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide is sourced from PubChem (CID 70757433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).