6-(2-methoxybenzoyl)-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide

C21H23N5O3S — CID 166612865

IUPAC6-(2-methoxybenzoyl)-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide
SMILESCOc1ccccc1C(=O)N1CCc2c(C(=O)NC(C)c3nc(C)cs3)n[nH]c2C1
InChIInChI=1S/C21H23N5O3S/c1-12-11-30-20(22-12)13(2)23-19(27)18-14-8-9-26(10-16(14)24-25-18)21(28)15-6-4-5-7-17(15)29-3/h4-7,11,13H,8-10H2,1-3H3,(H,23,27)(H,24,25)
InChIKeyWWZOUIRHRHUSKA-UHFFFAOYSA-N
MW425.51 g/mol
LogP2.87
Rot. Bonds5

About 6-(2-methoxybenzoyl)-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide

6-(2-methoxybenzoyl)-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide (PubChem CID 166612865) has the molecular formula C21H23N5O3S and a molecular weight of 425.51 g/mol. Its IUPAC name is 6-(2-methoxybenzoyl)-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(2-methoxybenzoyl)-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide
PubChem CID166612865
Molecular FormulaC21H23N5O3S
Molecular Weight425.51 g/mol
Exact Mass425.15
IUPAC Name6-(2-methoxybenzoyl)-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide
SMILESCOc1ccccc1C(=O)N1CCc2c(C(=O)NC(C)c3nc(C)cs3)n[nH]c2C1
InChIInChI=1S/C21H23N5O3S/c1-12-11-30-20(22-12)13(2)23-19(27)18-14-8-9-26(10-16(14)24-25-18)21(28)15-6-4-5-7-17(15)29-3/h4-7,11,13H,8-10H2,1-3H3,(H,23,27)(H,24,25)
InChIKeyWWZOUIRHRHUSKA-UHFFFAOYSA-N
XLogP2.87
TPSA100.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.51
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 6-(2-methoxybenzoyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxylate
CID 84580825
N-(2-hydroxyethyl)-6-[1-(2-methoxyphenyl)pyrazole-4-carbonyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 166619238
tert-butyl 3-[(2-methoxyphenyl)carbamoyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxylate
CID 84575979
[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(2-methoxyphenyl)methanone
CID 108750131
N-but-3-yn-2-yl-6-(5-fluoro-1-benzothiophene-2-carbonyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 171706266
methyl 6-(3-methylbenzoyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxylate
CID 84579818
2-[1-(2-methoxybenzoyl)piperidin-4-yl]-6-methyl-N-propan-2-ylpyridine-3-carboxamide
CID 42851966
5-(2-methylbenzoyl)-N-[(2R)-2-methylbutyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 93006024
N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-6-(pyridine-2-carbonyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 166613110
N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1H-indole-6-carboxamide
CID 63022253
2,6-dimethoxy-N-[3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butyl]benzamide
CID 110289706
methyl 6-[4-(trifluoromethyl)benzoyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxylate
CID 84581682

Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxybenzoyl)-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide?
The IUPAC name of 6-(2-methoxybenzoyl)-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide (CID 166612865) is 6-(2-methoxybenzoyl)-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide.
What is the SMILES notation for 6-(2-methoxybenzoyl)-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide?
The canonical SMILES for 6-(2-methoxybenzoyl)-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide is COc1ccccc1C(=O)N1CCc2c(C(=O)NC(C)c3nc(C)cs3)n[nH]c2C1.
What is the InChIKey of 6-(2-methoxybenzoyl)-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide?
The InChIKey is WWZOUIRHRHUSKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O3S/c1-12-11-30-20(22-12)13(2)23-19(27)18-14-8-9-26(10-16(14)24-25-18)21(28)15-6-4-5-7-17(15)29-3/h4-7,11,13H,8-10H2,1-3H3,(H,23,27)(H,24,25).
What are the key properties of 6-(2-methoxybenzoyl)-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide?
6-(2-methoxybenzoyl)-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide has a molecular weight of 425.51 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxybenzoyl)-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide is sourced from PubChem (CID 166612865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).