N-[4-(3,4-dimethoxybenzoyl)-1-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-7-yl]-1,3-thiazole-2-carboxamide

C20H21N5O4S — CID 134278366

About N-[4-(3,4-dimethoxybenzoyl)-1-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-7-yl]-1,3-thiazole-2-carboxamide

N-[4-(3,4-dimethoxybenzoyl)-1-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-7-yl]-1,3-thiazole-2-carboxamide (PubChem CID 134278366) has the molecular formula C20H21N5O4S and a molecular weight of 427.49 g/mol. Its IUPAC name is N-[4-(3,4-dimethoxybenzoyl)-1-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-7-yl]-1,3-thiazole-2-carboxamide.

Molecular Properties

• Compound Name: N-[4-(3,4-dimethoxybenzoyl)-1-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-7-yl]-1,3-thiazole-2-carboxamide
• PubChem CID: 134278366
• Molecular Formula: C20H21N5O4S
• Molecular Weight: 427.49 g/mol
• Exact Mass: 427.13
• IUPAC Name: N-[4-(3,4-dimethoxybenzoyl)-1-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-7-yl]-1,3-thiazole-2-carboxamide
• SMILES: COc1ccc(C(=O)N2CCC(NC(=O)c3nccs3)c3c2cnn3C)cc1OC
• InChI: InChI=1S/C20H21N5O4S/c1-24-17-13(23-18(26)19-21-7-9-30-19)6-8-25(14(17)11-22-24)20(27)12-4-5-15(28-2)16(10-12)29-3/h4-5,7,9-11,13H,6,8H2,1-3H3,(H,23,26)
• InChIKey: CWEWWEVRFMIDLD-UHFFFAOYSA-N
• XLogP: 2.42
• TPSA: 98.58 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	427.49
LogP ≤ 5	2.42
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,4-dimethoxybenzoyl)-1-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-7-yl]-1,3-thiazole-2-carboxamide?

The IUPAC name of N-[4-(3,4-dimethoxybenzoyl)-1-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-7-yl]-1,3-thiazole-2-carboxamide (CID 134278366) is N-[4-(3,4-dimethoxybenzoyl)-1-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-7-yl]-1,3-thiazole-2-carboxamide.

What is the SMILES notation for N-[4-(3,4-dimethoxybenzoyl)-1-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-7-yl]-1,3-thiazole-2-carboxamide?

The canonical SMILES for N-[4-(3,4-dimethoxybenzoyl)-1-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-7-yl]-1,3-thiazole-2-carboxamide is COc1ccc(C(=O)N2CCC(NC(=O)c3nccs3)c3c2cnn3C)cc1OC.

What is the InChIKey of N-[4-(3,4-dimethoxybenzoyl)-1-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-7-yl]-1,3-thiazole-2-carboxamide?

The InChIKey is CWEWWEVRFMIDLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O4S/c1-24-17-13(23-18(26)19-21-7-9-30-19)6-8-25(14(17)11-22-24)20(27)12-4-5-15(28-2)16(10-12)29-3/h4-5,7,9-11,13H,6,8H2,1-3H3,(H,23,26).

What are the key properties of N-[4-(3,4-dimethoxybenzoyl)-1-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-7-yl]-1,3-thiazole-2-carboxamide?

N-[4-(3,4-dimethoxybenzoyl)-1-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-7-yl]-1,3-thiazole-2-carboxamide has a molecular weight of 427.49 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(3,4-dimethoxybenzoyl)-1-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-7-yl]-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 134278366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).