N-[2-methyl-3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-3-phenyl-1H-pyrazole-5-carboxamide

C23H17N5OS — CID 121025035

About N-[2-methyl-3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-3-phenyl-1H-pyrazole-5-carboxamide

N-[2-methyl-3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-3-phenyl-1H-pyrazole-5-carboxamide (PubChem CID 121025035) has the molecular formula C23H17N5OS and a molecular weight of 411.49 g/mol. Its IUPAC name is N-[2-methyl-3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-3-phenyl-1H-pyrazole-5-carboxamide.

Molecular Properties

• Compound Name: N-[2-methyl-3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-3-phenyl-1H-pyrazole-5-carboxamide
• PubChem CID: 121025035
• Molecular Formula: C23H17N5OS
• Molecular Weight: 411.49 g/mol
• Exact Mass: 411.12
• IUPAC Name: N-[2-methyl-3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-3-phenyl-1H-pyrazole-5-carboxamide
• SMILES: Cc1c(NC(=O)c2cc(-c3ccccc3)n[nH]2)cccc1-c1nc2cccnc2s1
• InChI: InChI=1S/C23H17N5OS/c1-14-16(22-26-18-11-6-12-24-23(18)30-22)9-5-10-17(14)25-21(29)20-13-19(27-28-20)15-7-3-2-4-8-15/h2-13H,1H3,(H,25,29)(H,27,28)
• InChIKey: GUIZAQHRYWXDBU-UHFFFAOYSA-N
• XLogP: 5.31
• TPSA: 83.56 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	411.49
LogP ≤ 5	5.31
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-3-phenyl-1H-pyrazole-5-carboxamide?

The IUPAC name of N-[2-methyl-3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-3-phenyl-1H-pyrazole-5-carboxamide (CID 121025035) is N-[2-methyl-3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-3-phenyl-1H-pyrazole-5-carboxamide.

What is the SMILES notation for N-[2-methyl-3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-3-phenyl-1H-pyrazole-5-carboxamide?

The canonical SMILES for N-[2-methyl-3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-3-phenyl-1H-pyrazole-5-carboxamide is Cc1c(NC(=O)c2cc(-c3ccccc3)n[nH]2)cccc1-c1nc2cccnc2s1.

What is the InChIKey of N-[2-methyl-3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-3-phenyl-1H-pyrazole-5-carboxamide?

The InChIKey is GUIZAQHRYWXDBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N5OS/c1-14-16(22-26-18-11-6-12-24-23(18)30-22)9-5-10-17(14)25-21(29)20-13-19(27-28-20)15-7-3-2-4-8-15/h2-13H,1H3,(H,25,29)(H,27,28).

What are the key properties of N-[2-methyl-3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-3-phenyl-1H-pyrazole-5-carboxamide?

N-[2-methyl-3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-3-phenyl-1H-pyrazole-5-carboxamide has a molecular weight of 411.49 g/mol, XLogP of 5.31, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-methyl-3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-3-phenyl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 121025035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).