3-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(1,2-oxazole-4-carbonyl)pyrazol-3-yl]-1-(pyridin-2-ylmethyl)pyridin-2-one

C23H17ClN6O3S — CID 130423033

About 3-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(1,2-oxazole-4-carbonyl)pyrazol-3-yl]-1-(pyridin-2-ylmethyl)pyridin-2-one

3-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(1,2-oxazole-4-carbonyl)pyrazol-3-yl]-1-(pyridin-2-ylmethyl)pyridin-2-one (PubChem CID 130423033) has the molecular formula C23H17ClN6O3S and a molecular weight of 492.95 g/mol. Its IUPAC name is 3-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(1,2-oxazole-4-carbonyl)pyrazol-3-yl]-1-(pyridin-2-ylmethyl)pyridin-2-one.

Molecular Properties

• Compound Name: 3-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(1,2-oxazole-4-carbonyl)pyrazol-3-yl]-1-(pyridin-2-ylmethyl)pyridin-2-one
• PubChem CID: 130423033
• Molecular Formula: C23H17ClN6O3S
• Molecular Weight: 492.95 g/mol
• Exact Mass: 492.08
• IUPAC Name: 3-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(1,2-oxazole-4-carbonyl)pyrazol-3-yl]-1-(pyridin-2-ylmethyl)pyridin-2-one
• SMILES: O=C(c1cnoc1)n1nc(-c2cccn(Cc3ccccn3)c2=O)cc1NCc1ccc(Cl)s1
• InChI: InChI=1S/C23H17ClN6O3S/c24-20-7-6-17(34-20)12-26-21-10-19(28-30(21)22(31)15-11-27-33-14-15)18-5-3-9-29(23(18)32)13-16-4-1-2-8-25-16/h1-11,14,26H,12-13H2
• InChIKey: DGTGQFLSQVCWCQ-UHFFFAOYSA-N
• XLogP: 4.16
• TPSA: 107.84 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	492.95
LogP ≤ 5	4.16
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 3-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(1,2-oxazole-4-carbonyl)pyrazol-3-yl]-1-(pyridin-2-ylmethyl)pyridin-2-one?

The IUPAC name of 3-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(1,2-oxazole-4-carbonyl)pyrazol-3-yl]-1-(pyridin-2-ylmethyl)pyridin-2-one (CID 130423033) is 3-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(1,2-oxazole-4-carbonyl)pyrazol-3-yl]-1-(pyridin-2-ylmethyl)pyridin-2-one.

What is the SMILES notation for 3-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(1,2-oxazole-4-carbonyl)pyrazol-3-yl]-1-(pyridin-2-ylmethyl)pyridin-2-one?

The canonical SMILES for 3-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(1,2-oxazole-4-carbonyl)pyrazol-3-yl]-1-(pyridin-2-ylmethyl)pyridin-2-one is O=C(c1cnoc1)n1nc(-c2cccn(Cc3ccccn3)c2=O)cc1NCc1ccc(Cl)s1.

What is the InChIKey of 3-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(1,2-oxazole-4-carbonyl)pyrazol-3-yl]-1-(pyridin-2-ylmethyl)pyridin-2-one?

The InChIKey is DGTGQFLSQVCWCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClN6O3S/c24-20-7-6-17(34-20)12-26-21-10-19(28-30(21)22(31)15-11-27-33-14-15)18-5-3-9-29(23(18)32)13-16-4-1-2-8-25-16/h1-11,14,26H,12-13H2.

What are the key properties of 3-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(1,2-oxazole-4-carbonyl)pyrazol-3-yl]-1-(pyridin-2-ylmethyl)pyridin-2-one?

3-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(1,2-oxazole-4-carbonyl)pyrazol-3-yl]-1-(pyridin-2-ylmethyl)pyridin-2-one has a molecular weight of 492.95 g/mol, XLogP of 4.16, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(1,2-oxazole-4-carbonyl)pyrazol-3-yl]-1-(pyridin-2-ylmethyl)pyridin-2-one is sourced from PubChem (CID 130423033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).