N-[3-(furan-2-yl)-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]-4-oxochromene-2-carboxamide

C22H15N5O5 — CID 136606228

About N-[3-(furan-2-yl)-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]-4-oxochromene-2-carboxamide

N-[3-(furan-2-yl)-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]-4-oxochromene-2-carboxamide (PubChem CID 136606228) has the molecular formula C22H15N5O5 and a molecular weight of 429.39 g/mol. Its IUPAC name is N-[3-(furan-2-yl)-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]-4-oxochromene-2-carboxamide.

Molecular Properties

• Compound Name: N-[3-(furan-2-yl)-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]-4-oxochromene-2-carboxamide
• PubChem CID: 136606228
• Molecular Formula: C22H15N5O5
• Molecular Weight: 429.39 g/mol
• Exact Mass: 429.11
• IUPAC Name: N-[3-(furan-2-yl)-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]-4-oxochromene-2-carboxamide
• SMILES: Cc1cc(=O)[nH]c(-n2nc(-c3ccco3)cc2NC(=O)c2cc(=O)c3ccccc3o2)n1
• InChI: InChI=1S/C22H15N5O5/c1-12-9-20(29)25-22(23-12)27-19(10-14(26-27)17-7-4-8-31-17)24-21(30)18-11-15(28)13-5-2-3-6-16(13)32-18/h2-11H,1H3,(H,24,30)(H,23,25,29)
• InChIKey: UNOAEQOAFQBTDY-UHFFFAOYSA-N
• XLogP: 2.88
• TPSA: 136.02 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	429.39
LogP ≤ 5	2.88
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[3-(furan-2-yl)-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]-4-oxochromene-2-carboxamide?

The IUPAC name of N-[3-(furan-2-yl)-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]-4-oxochromene-2-carboxamide (CID 136606228) is N-[3-(furan-2-yl)-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]-4-oxochromene-2-carboxamide.

What is the SMILES notation for N-[3-(furan-2-yl)-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]-4-oxochromene-2-carboxamide?

The canonical SMILES for N-[3-(furan-2-yl)-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]-4-oxochromene-2-carboxamide is Cc1cc(=O)[nH]c(-n2nc(-c3ccco3)cc2NC(=O)c2cc(=O)c3ccccc3o2)n1.

What is the InChIKey of N-[3-(furan-2-yl)-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]-4-oxochromene-2-carboxamide?

The InChIKey is UNOAEQOAFQBTDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15N5O5/c1-12-9-20(29)25-22(23-12)27-19(10-14(26-27)17-7-4-8-31-17)24-21(30)18-11-15(28)13-5-2-3-6-16(13)32-18/h2-11H,1H3,(H,24,30)(H,23,25,29).

What are the key properties of N-[3-(furan-2-yl)-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]-4-oxochromene-2-carboxamide?

N-[3-(furan-2-yl)-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]-4-oxochromene-2-carboxamide has a molecular weight of 429.39 g/mol, XLogP of 2.88, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(furan-2-yl)-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]-4-oxochromene-2-carboxamide is sourced from PubChem (CID 136606228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).