N-[3-[[1-[(2,6-dichloro-3,5-dimethoxyphenyl)methyl]pyrazolo[4,3-d]pyrimidin-5-yl]methyl]-1-methylpyrazol-4-yl]prop-2-enamide;N-[3-[[5-[(2,6-dichloro-3,5-dimethoxyphenyl)methyl]pyrrolo[3,2-d]pyrimidin-2-yl]methyl]-1-methylpyrazol-4-yl]prop-2-enamide;N-[3-[[5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]pyrrolo[3,2-d]pyrimidin-2-yl]methyl]-1-methylpyrazol-4-yl]prop-2-enamide

C68H65Cl4F2N19O9 — CID 160851231

About N-[3-[[1-[(2,6-dichloro-3,5-dimethoxyphenyl)methyl]pyrazolo[4,3-d]pyrimidin-5-yl]methyl]-1-methylpyrazol-4-yl]prop-2-enamide;N-[3-[[5-[(2,6-dichloro-3,5-dimethoxyphenyl)methyl]pyrrolo[3,2-d]pyrimidin-2-yl]methyl]-1-methylpyrazol-4-yl]prop-2-enamide;N-[3-[[5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]pyrrolo[3,2-d]pyrimidin-2-yl]methyl]-1-methylpyrazol-4-yl]prop-2-enamide

N-[3-[[1-[(2,6-dichloro-3,5-dimethoxyphenyl)methyl]pyrazolo[4,3-d]pyrimidin-5-yl]methyl]-1-methylpyrazol-4-yl]prop-2-enamide;N-[3-[[5-[(2,6-dichloro-3,5-dimethoxyphenyl)methyl]pyrrolo[3,2-d]pyrimidin-2-yl]methyl]-1-methylpyrazol-4-yl]prop-2-enamide;N-[3-[[5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]pyrrolo[3,2-d]pyrimidin-2-yl]methyl]-1-methylpyrazol-4-yl]prop-2-enamide (PubChem CID 160851231) has the molecular formula C68H65Cl4F2N19O9 and a molecular weight of 1472.20 g/mol. Its IUPAC name is N-[3-[[1-[(2,6-dichloro-3,5-dimethoxyphenyl)methyl]pyrazolo[4,3-d]pyrimidin-5-yl]methyl]-1-methylpyrazol-4-yl]prop-2-enamide;N-[3-[[5-[(2,6-dichloro-3,5-dimethoxyphenyl)methyl]pyrrolo[3,2-d]pyrimidin-2-yl]methyl]-1-methylpyrazol-4-yl]prop-2-enamide;N-[3-[[5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]pyrrolo[3,2-d]pyrimidin-2-yl]methyl]-1-methylpyrazol-4-yl]prop-2-enamide.

Molecular Properties

• Compound Name: N-[3-[[1-[(2,6-dichloro-3,5-dimethoxyphenyl)methyl]pyrazolo[4,3-d]pyrimidin-5-yl]methyl]-1-methylpyrazol-4-yl]prop-2-enamide;N-[3-[[5-[(2,6-dichloro-3,5-dimethoxyphenyl)methyl]pyrrolo[3,2-d]pyrimidin-2-yl]methyl]-1-methylpyrazol-4-yl]prop-2-enamide;N-[3-[[5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]pyrrolo[3,2-d]pyrimidin-2-yl]methyl]-1-methylpyrazol-4-yl]prop-2-enamide
• PubChem CID: 160851231
• Molecular Formula: C68H65Cl4F2N19O9
• Molecular Weight: 1472.20 g/mol
• Exact Mass: 1469.39
• IUPAC Name: N-[3-[[1-[(2,6-dichloro-3,5-dimethoxyphenyl)methyl]pyrazolo[4,3-d]pyrimidin-5-yl]methyl]-1-methylpyrazol-4-yl]prop-2-enamide;N-[3-[[5-[(2,6-dichloro-3,5-dimethoxyphenyl)methyl]pyrrolo[3,2-d]pyrimidin-2-yl]methyl]-1-methylpyrazol-4-yl]prop-2-enamide;N-[3-[[5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]pyrrolo[3,2-d]pyrimidin-2-yl]methyl]-1-methylpyrazol-4-yl]prop-2-enamide
• SMILES: C=CC(=O)Nc1cn(C)nc1Cc1ncc2c(ccn2Cc2c(Cl)c(OC)cc(OC)c2Cl)n1.C=CC(=O)Nc1cn(C)nc1Cc1ncc2c(ccn2Cc2c(F)c(OC)cc(OC)c2F)n1.C=CC(=O)Nc1cn(C)nc1Cc1ncc2c(cnn2Cc2c(Cl)c(OC)cc(OC)c2Cl)n1
• InChI: InChI=1S/C23H22Cl2N6O3.C23H22F2N6O3.C22H21Cl2N7O3/c2*1-5-21(32)28-16-12-30(2)29-15(16)8-20-26-10-17-14(27-20)6-7-31(17)11-13-22(24)18(33-3)9-19(34-4)23(13)25;1-5-20(32)28-15-11-30(2)29-13(15)6-19-25-9-16-14(27-19)8-26-31(16)10-12-21(23)17(33-3)7-18(34-4)22(12)24/h2*5-7,9-10,12H,1,8,11H2,2-4H3,(H,28,32);5,7-9,11H,1,6,10H2,2-4H3,(H,28,32)
• InChIKey: SJHDFCOUXCZUHN-UHFFFAOYSA-N
• XLogP: 11.12
• TPSA: 301.16 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 25
• Rotatable Bonds: 24
• Heavy Atoms: 102
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1472.20
LogP ≤ 5	11.12
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[3-[[1-[(2,6-dichloro-3,5-dimethoxyphenyl)methyl]pyrazolo[4,3-d]pyrimidin-5-yl]methyl]-1-methylpyrazol-4-yl]prop-2-enamide;N-[3-[[5-[(2,6-dichloro-3,5-dimethoxyphenyl)methyl]pyrrolo[3,2-d]pyrimidin-2-yl]methyl]-1-methylpyrazol-4-yl]prop-2-enamide;N-[3-[[5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]pyrrolo[3,2-d]pyrimidin-2-yl]methyl]-1-methylpyrazol-4-yl]prop-2-enamide?

The IUPAC name of N-[3-[[1-[(2,6-dichloro-3,5-dimethoxyphenyl)methyl]pyrazolo[4,3-d]pyrimidin-5-yl]methyl]-1-methylpyrazol-4-yl]prop-2-enamide;N-[3-[[5-[(2,6-dichloro-3,5-dimethoxyphenyl)methyl]pyrrolo[3,2-d]pyrimidin-2-yl]methyl]-1-methylpyrazol-4-yl]prop-2-enamide;N-[3-[[5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]pyrrolo[3,2-d]pyrimidin-2-yl]methyl]-1-methylpyrazol-4-yl]prop-2-enamide (CID 160851231) is N-[3-[[1-[(2,6-dichloro-3,5-dimethoxyphenyl)methyl]pyrazolo[4,3-d]pyrimidin-5-yl]methyl]-1-methylpyrazol-4-yl]prop-2-enamide;N-[3-[[5-[(2,6-dichloro-3,5-dimethoxyphenyl)methyl]pyrrolo[3,2-d]pyrimidin-2-yl]methyl]-1-methylpyrazol-4-yl]prop-2-enamide;N-[3-[[5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]pyrrolo[3,2-d]pyrimidin-2-yl]methyl]-1-methylpyrazol-4-yl]prop-2-enamide.

What is the SMILES notation for N-[3-[[1-[(2,6-dichloro-3,5-dimethoxyphenyl)methyl]pyrazolo[4,3-d]pyrimidin-5-yl]methyl]-1-methylpyrazol-4-yl]prop-2-enamide;N-[3-[[5-[(2,6-dichloro-3,5-dimethoxyphenyl)methyl]pyrrolo[3,2-d]pyrimidin-2-yl]methyl]-1-methylpyrazol-4-yl]prop-2-enamide;N-[3-[[5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]pyrrolo[3,2-d]pyrimidin-2-yl]methyl]-1-methylpyrazol-4-yl]prop-2-enamide?

The canonical SMILES for N-[3-[[1-[(2,6-dichloro-3,5-dimethoxyphenyl)methyl]pyrazolo[4,3-d]pyrimidin-5-yl]methyl]-1-methylpyrazol-4-yl]prop-2-enamide;N-[3-[[5-[(2,6-dichloro-3,5-dimethoxyphenyl)methyl]pyrrolo[3,2-d]pyrimidin-2-yl]methyl]-1-methylpyrazol-4-yl]prop-2-enamide;N-[3-[[5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]pyrrolo[3,2-d]pyrimidin-2-yl]methyl]-1-methylpyrazol-4-yl]prop-2-enamide is C=CC(=O)Nc1cn(C)nc1Cc1ncc2c(ccn2Cc2c(Cl)c(OC)cc(OC)c2Cl)n1.C=CC(=O)Nc1cn(C)nc1Cc1ncc2c(ccn2Cc2c(F)c(OC)cc(OC)c2F)n1.C=CC(=O)Nc1cn(C)nc1Cc1ncc2c(cnn2Cc2c(Cl)c(OC)cc(OC)c2Cl)n1.

What is the InChIKey of N-[3-[[1-[(2,6-dichloro-3,5-dimethoxyphenyl)methyl]pyrazolo[4,3-d]pyrimidin-5-yl]methyl]-1-methylpyrazol-4-yl]prop-2-enamide;N-[3-[[5-[(2,6-dichloro-3,5-dimethoxyphenyl)methyl]pyrrolo[3,2-d]pyrimidin-2-yl]methyl]-1-methylpyrazol-4-yl]prop-2-enamide;N-[3-[[5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]pyrrolo[3,2-d]pyrimidin-2-yl]methyl]-1-methylpyrazol-4-yl]prop-2-enamide?

The InChIKey is SJHDFCOUXCZUHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22Cl2N6O3.C23H22F2N6O3.C22H21Cl2N7O3/c2*1-5-21(32)28-16-12-30(2)29-15(16)8-20-26-10-17-14(27-20)6-7-31(17)11-13-22(24)18(33-3)9-19(34-4)23(13)25;1-5-20(32)28-15-11-30(2)29-13(15)6-19-25-9-16-14(27-19)8-26-31(16)10-12-21(23)17(33-3)7-18(34-4)22(12)24/h2*5-7,9-10,12H,1,8,11H2,2-4H3,(H,28,32);5,7-9,11H,1,6,10H2,2-4H3,(H,28,32).

What are the key properties of N-[3-[[1-[(2,6-dichloro-3,5-dimethoxyphenyl)methyl]pyrazolo[4,3-d]pyrimidin-5-yl]methyl]-1-methylpyrazol-4-yl]prop-2-enamide;N-[3-[[5-[(2,6-dichloro-3,5-dimethoxyphenyl)methyl]pyrrolo[3,2-d]pyrimidin-2-yl]methyl]-1-methylpyrazol-4-yl]prop-2-enamide;N-[3-[[5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]pyrrolo[3,2-d]pyrimidin-2-yl]methyl]-1-methylpyrazol-4-yl]prop-2-enamide?

N-[3-[[1-[(2,6-dichloro-3,5-dimethoxyphenyl)methyl]pyrazolo[4,3-d]pyrimidin-5-yl]methyl]-1-methylpyrazol-4-yl]prop-2-enamide;N-[3-[[5-[(2,6-dichloro-3,5-dimethoxyphenyl)methyl]pyrrolo[3,2-d]pyrimidin-2-yl]methyl]-1-methylpyrazol-4-yl]prop-2-enamide;N-[3-[[5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]pyrrolo[3,2-d]pyrimidin-2-yl]methyl]-1-methylpyrazol-4-yl]prop-2-enamide has a molecular weight of 1472.20 g/mol, XLogP of 11.12, 24 rotatable bonds, 3 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[[1-[(2,6-dichloro-3,5-dimethoxyphenyl)methyl]pyrazolo[4,3-d]pyrimidin-5-yl]methyl]-1-methylpyrazol-4-yl]prop-2-enamide;N-[3-[[5-[(2,6-dichloro-3,5-dimethoxyphenyl)methyl]pyrrolo[3,2-d]pyrimidin-2-yl]methyl]-1-methylpyrazol-4-yl]prop-2-enamide;N-[3-[[5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]pyrrolo[3,2-d]pyrimidin-2-yl]methyl]-1-methylpyrazol-4-yl]prop-2-enamide is sourced from PubChem (CID 160851231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).