N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide

C24H17N5O3S — CID 24599270

About N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide

N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide (PubChem CID 24599270) has the molecular formula C24H17N5O3S and a molecular weight of 455.50 g/mol. Its IUPAC name is N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide.

Molecular Properties

• Compound Name: N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
• PubChem CID: 24599270
• Molecular Formula: C24H17N5O3S
• Molecular Weight: 455.50 g/mol
• Exact Mass: 455.11
• IUPAC Name: N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
• SMILES: O=C(Nc1nc2cc3c(cc2s1)OCCO3)c1cn(-c2ccccc2)nc1-c1cccnc1
• InChI: InChI=1S/C24H17N5O3S/c30-23(27-24-26-18-11-19-20(12-21(18)33-24)32-10-9-31-19)17-14-29(16-6-2-1-3-7-16)28-22(17)15-5-4-8-25-13-15/h1-8,11-14H,9-10H2,(H,26,27,30)
• InChIKey: OEGDGPILCYDYBS-UHFFFAOYSA-N
• XLogP: 4.57
• TPSA: 91.16 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	455.50
LogP ≤ 5	4.57
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide?

The IUPAC name of N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide (CID 24599270) is N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide.

What is the SMILES notation for N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide?

The canonical SMILES for N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide is O=C(Nc1nc2cc3c(cc2s1)OCCO3)c1cn(-c2ccccc2)nc1-c1cccnc1.

What is the InChIKey of N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide?

The InChIKey is OEGDGPILCYDYBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N5O3S/c30-23(27-24-26-18-11-19-20(12-21(18)33-24)32-10-9-31-19)17-14-29(16-6-2-1-3-7-16)28-22(17)15-5-4-8-25-13-15/h1-8,11-14H,9-10H2,(H,26,27,30).

What are the key properties of N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide?

N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide has a molecular weight of 455.50 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide is sourced from PubChem (CID 24599270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).