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

C23H20N6O3S — CID 90528473

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

N-[5-[3-(2-methoxyphenyl)-1H-pyrazole-5-carbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyridine-2-carboxamide (PubChem CID 90528473) has the molecular formula C23H20N6O3S and a molecular weight of 460.52 g/mol. Its IUPAC name is N-[5-[3-(2-methoxyphenyl)-1H-pyrazole-5-carbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[5-[3-(2-methoxyphenyl)-1H-pyrazole-5-carbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyridine-2-carboxamide
• PubChem CID: 90528473
• Molecular Formula: C23H20N6O3S
• Molecular Weight: 460.52 g/mol
• Exact Mass: 460.13
• IUPAC Name: N-[5-[3-(2-methoxyphenyl)-1H-pyrazole-5-carbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyridine-2-carboxamide
• SMILES: COc1ccccc1-c1cc(C(=O)N2CCc3nc(NC(=O)c4ccccn4)sc3C2)[nH]n1
• InChI: InChI=1S/C23H20N6O3S/c1-32-19-8-3-2-6-14(19)17-12-18(28-27-17)22(31)29-11-9-15-20(13-29)33-23(25-15)26-21(30)16-7-4-5-10-24-16/h2-8,10,12H,9,11,13H2,1H3,(H,27,28)(H,25,26,30)
• InChIKey: NXANEJMEGQLDNA-UHFFFAOYSA-N
• XLogP: 3.39
• TPSA: 113.10 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	460.52
LogP ≤ 5	3.39
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[5-[3-(2-methoxyphenyl)-1H-pyrazole-5-carbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyridine-2-carboxamide?

The IUPAC name of N-[5-[3-(2-methoxyphenyl)-1H-pyrazole-5-carbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyridine-2-carboxamide (CID 90528473) is N-[5-[3-(2-methoxyphenyl)-1H-pyrazole-5-carbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyridine-2-carboxamide.

What is the SMILES notation for N-[5-[3-(2-methoxyphenyl)-1H-pyrazole-5-carbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyridine-2-carboxamide?

The canonical SMILES for N-[5-[3-(2-methoxyphenyl)-1H-pyrazole-5-carbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyridine-2-carboxamide is COc1ccccc1-c1cc(C(=O)N2CCc3nc(NC(=O)c4ccccn4)sc3C2)[nH]n1.

What is the InChIKey of N-[5-[3-(2-methoxyphenyl)-1H-pyrazole-5-carbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyridine-2-carboxamide?

The InChIKey is NXANEJMEGQLDNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N6O3S/c1-32-19-8-3-2-6-14(19)17-12-18(28-27-17)22(31)29-11-9-15-20(13-29)33-23(25-15)26-21(30)16-7-4-5-10-24-16/h2-8,10,12H,9,11,13H2,1H3,(H,27,28)(H,25,26,30).

What are the key properties of N-[5-[3-(2-methoxyphenyl)-1H-pyrazole-5-carbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyridine-2-carboxamide?

N-[5-[3-(2-methoxyphenyl)-1H-pyrazole-5-carbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyridine-2-carboxamide has a molecular weight of 460.52 g/mol, XLogP of 3.39, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[3-(2-methoxyphenyl)-1H-pyrazole-5-carbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyridine-2-carboxamide is sourced from PubChem (CID 90528473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).