N-[3-[[6-(2,6-difluoro-3,5-dimethoxybenzoyl)-5H-cyclopenta[d]pyrimidin-2-yl]methyl]-1-methylpyrazol-4-yl]prop-2-enamide;N-[3-[[6-(2,6-difluoro-3,5-dimethoxybenzoyl)furo[3,2-d]pyrimidin-2-yl]methyl]-1-methylpyrazol-4-yl]prop-2-enamide;N-[3-[[6-(2,6-difluoro-3,5-dimethoxybenzoyl)thieno[3,2-d]pyrimidin-2-yl]methyl]-1-methylpyrazol-4-yl]prop-2-enamide

C70H59F6N15O13S — CID 159467984

About N-[3-[[6-(2,6-difluoro-3,5-dimethoxybenzoyl)-5H-cyclopenta[d]pyrimidin-2-yl]methyl]-1-methylpyrazol-4-yl]prop-2-enamide;N-[3-[[6-(2,6-difluoro-3,5-dimethoxybenzoyl)furo[3,2-d]pyrimidin-2-yl]methyl]-1-methylpyrazol-4-yl]prop-2-enamide;N-[3-[[6-(2,6-difluoro-3,5-dimethoxybenzoyl)thieno[3,2-d]pyrimidin-2-yl]methyl]-1-methylpyrazol-4-yl]prop-2-enamide

N-[3-[[6-(2,6-difluoro-3,5-dimethoxybenzoyl)-5H-cyclopenta[d]pyrimidin-2-yl]methyl]-1-methylpyrazol-4-yl]prop-2-enamide;N-[3-[[6-(2,6-difluoro-3,5-dimethoxybenzoyl)furo[3,2-d]pyrimidin-2-yl]methyl]-1-methylpyrazol-4-yl]prop-2-enamide;N-[3-[[6-(2,6-difluoro-3,5-dimethoxybenzoyl)thieno[3,2-d]pyrimidin-2-yl]methyl]-1-methylpyrazol-4-yl]prop-2-enamide (PubChem CID 159467984) has the molecular formula C70H59F6N15O13S and a molecular weight of 1464.39 g/mol. Its IUPAC name is N-[3-[[6-(2,6-difluoro-3,5-dimethoxybenzoyl)-5H-cyclopenta[d]pyrimidin-2-yl]methyl]-1-methylpyrazol-4-yl]prop-2-enamide;N-[3-[[6-(2,6-difluoro-3,5-dimethoxybenzoyl)furo[3,2-d]pyrimidin-2-yl]methyl]-1-methylpyrazol-4-yl]prop-2-enamide;N-[3-[[6-(2,6-difluoro-3,5-dimethoxybenzoyl)thieno[3,2-d]pyrimidin-2-yl]methyl]-1-methylpyrazol-4-yl]prop-2-enamide.

Molecular Properties

• Compound Name: N-[3-[[6-(2,6-difluoro-3,5-dimethoxybenzoyl)-5H-cyclopenta[d]pyrimidin-2-yl]methyl]-1-methylpyrazol-4-yl]prop-2-enamide;N-[3-[[6-(2,6-difluoro-3,5-dimethoxybenzoyl)furo[3,2-d]pyrimidin-2-yl]methyl]-1-methylpyrazol-4-yl]prop-2-enamide;N-[3-[[6-(2,6-difluoro-3,5-dimethoxybenzoyl)thieno[3,2-d]pyrimidin-2-yl]methyl]-1-methylpyrazol-4-yl]prop-2-enamide
• PubChem CID: 159467984
• Molecular Formula: C70H59F6N15O13S
• Molecular Weight: 1464.39 g/mol
• Exact Mass: 1463.40
• IUPAC Name: N-[3-[[6-(2,6-difluoro-3,5-dimethoxybenzoyl)-5H-cyclopenta[d]pyrimidin-2-yl]methyl]-1-methylpyrazol-4-yl]prop-2-enamide;N-[3-[[6-(2,6-difluoro-3,5-dimethoxybenzoyl)furo[3,2-d]pyrimidin-2-yl]methyl]-1-methylpyrazol-4-yl]prop-2-enamide;N-[3-[[6-(2,6-difluoro-3,5-dimethoxybenzoyl)thieno[3,2-d]pyrimidin-2-yl]methyl]-1-methylpyrazol-4-yl]prop-2-enamide
• SMILES: C=CC(=O)Nc1cn(C)nc1Cc1ncc2c(n1)C=C(C(=O)c1c(F)c(OC)cc(OC)c1F)C2.C=CC(=O)Nc1cn(C)nc1Cc1ncc2oc(C(=O)c3c(F)c(OC)cc(OC)c3F)cc2n1.C=CC(=O)Nc1cn(C)nc1Cc1ncc2sc(C(=O)c3c(F)c(OC)cc(OC)c3F)cc2n1
• InChI: InChI=1S/C24H21F2N5O4.C23H19F2N5O5.C23H19F2N5O4S/c1-5-20(32)29-16-11-31(2)30-15(16)8-19-27-10-13-6-12(7-14(13)28-19)24(33)21-22(25)17(34-3)9-18(35-4)23(21)26;2*1-5-19(31)28-13-10-30(2)29-11(13)7-18-26-9-17-12(27-18)6-16(35-17)23(32)20-21(24)14(33-3)8-15(34-4)22(20)25/h5,7,9-11H,1,6,8H2,2-4H3,(H,29,32);2*5-6,8-10H,1,7H2,2-4H3,(H,28,31)
• InChIKey: LVKWMSAFFMVISA-UHFFFAOYSA-N
• XLogP: 9.91
• TPSA: 337.83 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 26
• Rotatable Bonds: 24
• Heavy Atoms: 105
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1464.39
LogP ≤ 5	9.91
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[3-[[6-(2,6-difluoro-3,5-dimethoxybenzoyl)-5H-cyclopenta[d]pyrimidin-2-yl]methyl]-1-methylpyrazol-4-yl]prop-2-enamide;N-[3-[[6-(2,6-difluoro-3,5-dimethoxybenzoyl)furo[3,2-d]pyrimidin-2-yl]methyl]-1-methylpyrazol-4-yl]prop-2-enamide;N-[3-[[6-(2,6-difluoro-3,5-dimethoxybenzoyl)thieno[3,2-d]pyrimidin-2-yl]methyl]-1-methylpyrazol-4-yl]prop-2-enamide?

The IUPAC name of N-[3-[[6-(2,6-difluoro-3,5-dimethoxybenzoyl)-5H-cyclopenta[d]pyrimidin-2-yl]methyl]-1-methylpyrazol-4-yl]prop-2-enamide;N-[3-[[6-(2,6-difluoro-3,5-dimethoxybenzoyl)furo[3,2-d]pyrimidin-2-yl]methyl]-1-methylpyrazol-4-yl]prop-2-enamide;N-[3-[[6-(2,6-difluoro-3,5-dimethoxybenzoyl)thieno[3,2-d]pyrimidin-2-yl]methyl]-1-methylpyrazol-4-yl]prop-2-enamide (CID 159467984) is N-[3-[[6-(2,6-difluoro-3,5-dimethoxybenzoyl)-5H-cyclopenta[d]pyrimidin-2-yl]methyl]-1-methylpyrazol-4-yl]prop-2-enamide;N-[3-[[6-(2,6-difluoro-3,5-dimethoxybenzoyl)furo[3,2-d]pyrimidin-2-yl]methyl]-1-methylpyrazol-4-yl]prop-2-enamide;N-[3-[[6-(2,6-difluoro-3,5-dimethoxybenzoyl)thieno[3,2-d]pyrimidin-2-yl]methyl]-1-methylpyrazol-4-yl]prop-2-enamide.

What is the SMILES notation for N-[3-[[6-(2,6-difluoro-3,5-dimethoxybenzoyl)-5H-cyclopenta[d]pyrimidin-2-yl]methyl]-1-methylpyrazol-4-yl]prop-2-enamide;N-[3-[[6-(2,6-difluoro-3,5-dimethoxybenzoyl)furo[3,2-d]pyrimidin-2-yl]methyl]-1-methylpyrazol-4-yl]prop-2-enamide;N-[3-[[6-(2,6-difluoro-3,5-dimethoxybenzoyl)thieno[3,2-d]pyrimidin-2-yl]methyl]-1-methylpyrazol-4-yl]prop-2-enamide?

The canonical SMILES for N-[3-[[6-(2,6-difluoro-3,5-dimethoxybenzoyl)-5H-cyclopenta[d]pyrimidin-2-yl]methyl]-1-methylpyrazol-4-yl]prop-2-enamide;N-[3-[[6-(2,6-difluoro-3,5-dimethoxybenzoyl)furo[3,2-d]pyrimidin-2-yl]methyl]-1-methylpyrazol-4-yl]prop-2-enamide;N-[3-[[6-(2,6-difluoro-3,5-dimethoxybenzoyl)thieno[3,2-d]pyrimidin-2-yl]methyl]-1-methylpyrazol-4-yl]prop-2-enamide is C=CC(=O)Nc1cn(C)nc1Cc1ncc2c(n1)C=C(C(=O)c1c(F)c(OC)cc(OC)c1F)C2.C=CC(=O)Nc1cn(C)nc1Cc1ncc2oc(C(=O)c3c(F)c(OC)cc(OC)c3F)cc2n1.C=CC(=O)Nc1cn(C)nc1Cc1ncc2sc(C(=O)c3c(F)c(OC)cc(OC)c3F)cc2n1.

What is the InChIKey of N-[3-[[6-(2,6-difluoro-3,5-dimethoxybenzoyl)-5H-cyclopenta[d]pyrimidin-2-yl]methyl]-1-methylpyrazol-4-yl]prop-2-enamide;N-[3-[[6-(2,6-difluoro-3,5-dimethoxybenzoyl)furo[3,2-d]pyrimidin-2-yl]methyl]-1-methylpyrazol-4-yl]prop-2-enamide;N-[3-[[6-(2,6-difluoro-3,5-dimethoxybenzoyl)thieno[3,2-d]pyrimidin-2-yl]methyl]-1-methylpyrazol-4-yl]prop-2-enamide?

The InChIKey is LVKWMSAFFMVISA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F2N5O4.C23H19F2N5O5.C23H19F2N5O4S/c1-5-20(32)29-16-11-31(2)30-15(16)8-19-27-10-13-6-12(7-14(13)28-19)24(33)21-22(25)17(34-3)9-18(35-4)23(21)26;2*1-5-19(31)28-13-10-30(2)29-11(13)7-18-26-9-17-12(27-18)6-16(35-17)23(32)20-21(24)14(33-3)8-15(34-4)22(20)25/h5,7,9-11H,1,6,8H2,2-4H3,(H,29,32);2*5-6,8-10H,1,7H2,2-4H3,(H,28,31).

What are the key properties of N-[3-[[6-(2,6-difluoro-3,5-dimethoxybenzoyl)-5H-cyclopenta[d]pyrimidin-2-yl]methyl]-1-methylpyrazol-4-yl]prop-2-enamide;N-[3-[[6-(2,6-difluoro-3,5-dimethoxybenzoyl)furo[3,2-d]pyrimidin-2-yl]methyl]-1-methylpyrazol-4-yl]prop-2-enamide;N-[3-[[6-(2,6-difluoro-3,5-dimethoxybenzoyl)thieno[3,2-d]pyrimidin-2-yl]methyl]-1-methylpyrazol-4-yl]prop-2-enamide?

N-[3-[[6-(2,6-difluoro-3,5-dimethoxybenzoyl)-5H-cyclopenta[d]pyrimidin-2-yl]methyl]-1-methylpyrazol-4-yl]prop-2-enamide;N-[3-[[6-(2,6-difluoro-3,5-dimethoxybenzoyl)furo[3,2-d]pyrimidin-2-yl]methyl]-1-methylpyrazol-4-yl]prop-2-enamide;N-[3-[[6-(2,6-difluoro-3,5-dimethoxybenzoyl)thieno[3,2-d]pyrimidin-2-yl]methyl]-1-methylpyrazol-4-yl]prop-2-enamide has a molecular weight of 1464.39 g/mol, XLogP of 9.91, 24 rotatable bonds, 3 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[[6-(2,6-difluoro-3,5-dimethoxybenzoyl)-5H-cyclopenta[d]pyrimidin-2-yl]methyl]-1-methylpyrazol-4-yl]prop-2-enamide;N-[3-[[6-(2,6-difluoro-3,5-dimethoxybenzoyl)furo[3,2-d]pyrimidin-2-yl]methyl]-1-methylpyrazol-4-yl]prop-2-enamide;N-[3-[[6-(2,6-difluoro-3,5-dimethoxybenzoyl)thieno[3,2-d]pyrimidin-2-yl]methyl]-1-methylpyrazol-4-yl]prop-2-enamide is sourced from PubChem (CID 159467984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).