(Z)-3-(3,4-dimethoxyphenyl)-N-[3-(furan-2-yl)-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-5-yl]prop-2-enamide

C25H23N5O5 — CID 136615392

About (Z)-3-(3,4-dimethoxyphenyl)-N-[3-(furan-2-yl)-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-5-yl]prop-2-enamide

(Z)-3-(3,4-dimethoxyphenyl)-N-[3-(furan-2-yl)-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-5-yl]prop-2-enamide (PubChem CID 136615392) has the molecular formula C25H23N5O5 and a molecular weight of 473.49 g/mol. Its IUPAC name is (Z)-3-(3,4-dimethoxyphenyl)-N-[3-(furan-2-yl)-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-5-yl]prop-2-enamide.

Molecular Properties

• Compound Name: (Z)-3-(3,4-dimethoxyphenyl)-N-[3-(furan-2-yl)-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-5-yl]prop-2-enamide
• PubChem CID: 136615392
• Molecular Formula: C25H23N5O5
• Molecular Weight: 473.49 g/mol
• Exact Mass: 473.17
• IUPAC Name: (Z)-3-(3,4-dimethoxyphenyl)-N-[3-(furan-2-yl)-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-5-yl]prop-2-enamide
• SMILES: COc1ccc(/C=C\C(=O)Nc2cc(-c3ccco3)nn2-c2nc3c(c(=O)[nH]2)CCC3)cc1OC
• InChI: InChI=1S/C25H23N5O5/c1-33-20-10-8-15(13-21(20)34-2)9-11-23(31)27-22-14-18(19-7-4-12-35-19)29-30(22)25-26-17-6-3-5-16(17)24(32)28-25/h4,7-14H,3,5-6H2,1-2H3,(H,27,31)(H,26,28,32)/b11-9-
• InChIKey: IMXKGDGIRQYLCY-LUAWRHEFSA-N
• XLogP: 3.37
• TPSA: 124.27 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	473.49
LogP ≤ 5	3.37
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(3,4-dimethoxyphenyl)-N-[3-(furan-2-yl)-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-5-yl]prop-2-enamide?

The IUPAC name of (Z)-3-(3,4-dimethoxyphenyl)-N-[3-(furan-2-yl)-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-5-yl]prop-2-enamide (CID 136615392) is (Z)-3-(3,4-dimethoxyphenyl)-N-[3-(furan-2-yl)-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-5-yl]prop-2-enamide.

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

The canonical SMILES for (Z)-3-(3,4-dimethoxyphenyl)-N-[3-(furan-2-yl)-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-5-yl]prop-2-enamide is COc1ccc(/C=C\C(=O)Nc2cc(-c3ccco3)nn2-c2nc3c(c(=O)[nH]2)CCC3)cc1OC.

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

The InChIKey is IMXKGDGIRQYLCY-LUAWRHEFSA-N. The full InChI is InChI=1S/C25H23N5O5/c1-33-20-10-8-15(13-21(20)34-2)9-11-23(31)27-22-14-18(19-7-4-12-35-19)29-30(22)25-26-17-6-3-5-16(17)24(32)28-25/h4,7-14H,3,5-6H2,1-2H3,(H,27,31)(H,26,28,32)/b11-9-.

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

(Z)-3-(3,4-dimethoxyphenyl)-N-[3-(furan-2-yl)-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-5-yl]prop-2-enamide has a molecular weight of 473.49 g/mol, XLogP of 3.37, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (Z)-3-(3,4-dimethoxyphenyl)-N-[3-(furan-2-yl)-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-5-yl]prop-2-enamide is sourced from PubChem (CID 136615392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).