N-[3-(furan-2-yl)-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-5-yl]-2-(2-methoxyphenoxy)acetamide

C23H21N5O5 — CID 136615401

About N-[3-(furan-2-yl)-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-5-yl]-2-(2-methoxyphenoxy)acetamide

N-[3-(furan-2-yl)-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-5-yl]-2-(2-methoxyphenoxy)acetamide (PubChem CID 136615401) has the molecular formula C23H21N5O5 and a molecular weight of 447.45 g/mol. Its IUPAC name is N-[3-(furan-2-yl)-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-5-yl]-2-(2-methoxyphenoxy)acetamide.

Molecular Properties

• Compound Name: N-[3-(furan-2-yl)-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-5-yl]-2-(2-methoxyphenoxy)acetamide
• PubChem CID: 136615401
• Molecular Formula: C23H21N5O5
• Molecular Weight: 447.45 g/mol
• Exact Mass: 447.15
• IUPAC Name: N-[3-(furan-2-yl)-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-5-yl]-2-(2-methoxyphenoxy)acetamide
• SMILES: COc1ccccc1OCC(=O)Nc1cc(-c2ccco2)nn1-c1nc2c(c(=O)[nH]1)CCC2
• InChI: InChI=1S/C23H21N5O5/c1-31-18-8-2-3-9-19(18)33-13-21(29)25-20-12-16(17-10-5-11-32-17)27-28(20)23-24-15-7-4-6-14(15)22(30)26-23/h2-3,5,8-12H,4,6-7,13H2,1H3,(H,25,29)(H,24,26,30)
• InChIKey: MTICDECTCJCHKH-UHFFFAOYSA-N
• XLogP: 2.73
• TPSA: 124.27 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	447.45
LogP ≤ 5	2.73
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-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-5-yl]-2-(2-methoxyphenoxy)acetamide?

The IUPAC name of N-[3-(furan-2-yl)-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-5-yl]-2-(2-methoxyphenoxy)acetamide (CID 136615401) is N-[3-(furan-2-yl)-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-5-yl]-2-(2-methoxyphenoxy)acetamide.

What is the SMILES notation for N-[3-(furan-2-yl)-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-5-yl]-2-(2-methoxyphenoxy)acetamide?

The canonical SMILES for N-[3-(furan-2-yl)-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-5-yl]-2-(2-methoxyphenoxy)acetamide is COc1ccccc1OCC(=O)Nc1cc(-c2ccco2)nn1-c1nc2c(c(=O)[nH]1)CCC2.

What is the InChIKey of N-[3-(furan-2-yl)-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-5-yl]-2-(2-methoxyphenoxy)acetamide?

The InChIKey is MTICDECTCJCHKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O5/c1-31-18-8-2-3-9-19(18)33-13-21(29)25-20-12-16(17-10-5-11-32-17)27-28(20)23-24-15-7-4-6-14(15)22(30)26-23/h2-3,5,8-12H,4,6-7,13H2,1H3,(H,25,29)(H,24,26,30).

What are the key properties of N-[3-(furan-2-yl)-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-5-yl]-2-(2-methoxyphenoxy)acetamide?

N-[3-(furan-2-yl)-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-5-yl]-2-(2-methoxyphenoxy)acetamide has a molecular weight of 447.45 g/mol, XLogP of 2.73, 7 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-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-5-yl]-2-(2-methoxyphenoxy)acetamide is sourced from PubChem (CID 136615401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).