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

C94H102Cl6F2N18O15 — CID 162018154

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

N-[2-[[1-[(2,6-dichloro-3,5-dimethoxyphenyl)methyl]pyrazolo[4,3-d]pyrimidin-5-yl]methyl]cyclopentyl]prop-2-enamide;N-[3-[[1-[(2,6-dichloro-3,5-dimethoxyphenyl)methyl]pyrazolo[4,3-d]pyrimidin-5-yl]methyl]oxan-4-yl]prop-2-enamide;N-[3-[[5-[(2,6-dichloro-3,5-dimethoxyphenyl)methyl]pyrrolo[3,2-d]pyrimidin-2-yl]methyl]oxan-4-yl]prop-2-enamide;N-[3-[[5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]pyrrolo[3,2-d]pyrimidin-2-yl]methyl]oxan-4-yl]prop-2-enamide (PubChem CID 162018154) has the molecular formula C94H102Cl6F2N18O15 and a molecular weight of 1974.67 g/mol. Its IUPAC name is N-[2-[[1-[(2,6-dichloro-3,5-dimethoxyphenyl)methyl]pyrazolo[4,3-d]pyrimidin-5-yl]methyl]cyclopentyl]prop-2-enamide;N-[3-[[1-[(2,6-dichloro-3,5-dimethoxyphenyl)methyl]pyrazolo[4,3-d]pyrimidin-5-yl]methyl]oxan-4-yl]prop-2-enamide;N-[3-[[5-[(2,6-dichloro-3,5-dimethoxyphenyl)methyl]pyrrolo[3,2-d]pyrimidin-2-yl]methyl]oxan-4-yl]prop-2-enamide;N-[3-[[5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]pyrrolo[3,2-d]pyrimidin-2-yl]methyl]oxan-4-yl]prop-2-enamide.

Molecular Properties

• Compound Name: N-[2-[[1-[(2,6-dichloro-3,5-dimethoxyphenyl)methyl]pyrazolo[4,3-d]pyrimidin-5-yl]methyl]cyclopentyl]prop-2-enamide;N-[3-[[1-[(2,6-dichloro-3,5-dimethoxyphenyl)methyl]pyrazolo[4,3-d]pyrimidin-5-yl]methyl]oxan-4-yl]prop-2-enamide;N-[3-[[5-[(2,6-dichloro-3,5-dimethoxyphenyl)methyl]pyrrolo[3,2-d]pyrimidin-2-yl]methyl]oxan-4-yl]prop-2-enamide;N-[3-[[5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]pyrrolo[3,2-d]pyrimidin-2-yl]methyl]oxan-4-yl]prop-2-enamide
• PubChem CID: 162018154
• Molecular Formula: C94H102Cl6F2N18O15
• Molecular Weight: 1974.67 g/mol
• Exact Mass: 1970.59
• IUPAC Name: N-[2-[[1-[(2,6-dichloro-3,5-dimethoxyphenyl)methyl]pyrazolo[4,3-d]pyrimidin-5-yl]methyl]cyclopentyl]prop-2-enamide;N-[3-[[1-[(2,6-dichloro-3,5-dimethoxyphenyl)methyl]pyrazolo[4,3-d]pyrimidin-5-yl]methyl]oxan-4-yl]prop-2-enamide;N-[3-[[5-[(2,6-dichloro-3,5-dimethoxyphenyl)methyl]pyrrolo[3,2-d]pyrimidin-2-yl]methyl]oxan-4-yl]prop-2-enamide;N-[3-[[5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]pyrrolo[3,2-d]pyrimidin-2-yl]methyl]oxan-4-yl]prop-2-enamide
• SMILES: C=CC(=O)NC1CCCC1Cc1ncc2c(cnn2Cc2c(Cl)c(OC)cc(OC)c2Cl)n1.C=CC(=O)NC1CCOCC1Cc1ncc2c(ccn2Cc2c(Cl)c(OC)cc(OC)c2Cl)n1.C=CC(=O)NC1CCOCC1Cc1ncc2c(ccn2Cc2c(F)c(OC)cc(OC)c2F)n1.C=CC(=O)NC1CCOCC1Cc1ncc2c(cnn2Cc2c(Cl)c(OC)cc(OC)c2Cl)n1
• InChI: InChI=1S/C24H26Cl2N4O4.C24H26F2N4O4.C23H25Cl2N5O4.C23H25Cl2N5O3/c2*1-4-22(31)29-16-6-8-34-13-14(16)9-21-27-11-18-17(28-21)5-7-30(18)12-15-23(25)19(32-2)10-20(33-3)24(15)26;1-4-21(31)29-15-5-6-34-12-13(15)7-20-26-10-17-16(28-20)9-27-30(17)11-14-22(24)18(32-2)8-19(33-3)23(14)25;1-4-21(31)29-15-7-5-6-13(15)8-20-26-11-17-16(28-20)10-27-30(17)12-14-22(24)18(32-2)9-19(33-3)23(14)25/h2*4-5,7,10-11,14,16H,1,6,8-9,12-13H2,2-3H3,(H,29,31);4,8-10,13,15H,1,5-7,11-12H2,2-3H3,(H,29,31);4,9-11,13,15H,1,5-8,12H2,2-3H3,(H,29,31)
• InChIKey: YUJWNZCQSOUZPL-UHFFFAOYSA-N
• XLogP: 14.74
• TPSA: 366.55 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 29
• Rotatable Bonds: 32
• Heavy Atoms: 135
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1974.67
LogP ≤ 5	14.74
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of N-[2-[[1-[(2,6-dichloro-3,5-dimethoxyphenyl)methyl]pyrazolo[4,3-d]pyrimidin-5-yl]methyl]cyclopentyl]prop-2-enamide;N-[3-[[1-[(2,6-dichloro-3,5-dimethoxyphenyl)methyl]pyrazolo[4,3-d]pyrimidin-5-yl]methyl]oxan-4-yl]prop-2-enamide;N-[3-[[5-[(2,6-dichloro-3,5-dimethoxyphenyl)methyl]pyrrolo[3,2-d]pyrimidin-2-yl]methyl]oxan-4-yl]prop-2-enamide;N-[3-[[5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]pyrrolo[3,2-d]pyrimidin-2-yl]methyl]oxan-4-yl]prop-2-enamide (CID 162018154) is N-[2-[[1-[(2,6-dichloro-3,5-dimethoxyphenyl)methyl]pyrazolo[4,3-d]pyrimidin-5-yl]methyl]cyclopentyl]prop-2-enamide;N-[3-[[1-[(2,6-dichloro-3,5-dimethoxyphenyl)methyl]pyrazolo[4,3-d]pyrimidin-5-yl]methyl]oxan-4-yl]prop-2-enamide;N-[3-[[5-[(2,6-dichloro-3,5-dimethoxyphenyl)methyl]pyrrolo[3,2-d]pyrimidin-2-yl]methyl]oxan-4-yl]prop-2-enamide;N-[3-[[5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]pyrrolo[3,2-d]pyrimidin-2-yl]methyl]oxan-4-yl]prop-2-enamide.

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

The canonical SMILES for N-[2-[[1-[(2,6-dichloro-3,5-dimethoxyphenyl)methyl]pyrazolo[4,3-d]pyrimidin-5-yl]methyl]cyclopentyl]prop-2-enamide;N-[3-[[1-[(2,6-dichloro-3,5-dimethoxyphenyl)methyl]pyrazolo[4,3-d]pyrimidin-5-yl]methyl]oxan-4-yl]prop-2-enamide;N-[3-[[5-[(2,6-dichloro-3,5-dimethoxyphenyl)methyl]pyrrolo[3,2-d]pyrimidin-2-yl]methyl]oxan-4-yl]prop-2-enamide;N-[3-[[5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]pyrrolo[3,2-d]pyrimidin-2-yl]methyl]oxan-4-yl]prop-2-enamide is C=CC(=O)NC1CCCC1Cc1ncc2c(cnn2Cc2c(Cl)c(OC)cc(OC)c2Cl)n1.C=CC(=O)NC1CCOCC1Cc1ncc2c(ccn2Cc2c(Cl)c(OC)cc(OC)c2Cl)n1.C=CC(=O)NC1CCOCC1Cc1ncc2c(ccn2Cc2c(F)c(OC)cc(OC)c2F)n1.C=CC(=O)NC1CCOCC1Cc1ncc2c(cnn2Cc2c(Cl)c(OC)cc(OC)c2Cl)n1.

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

The InChIKey is YUJWNZCQSOUZPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26Cl2N4O4.C24H26F2N4O4.C23H25Cl2N5O4.C23H25Cl2N5O3/c2*1-4-22(31)29-16-6-8-34-13-14(16)9-21-27-11-18-17(28-21)5-7-30(18)12-15-23(25)19(32-2)10-20(33-3)24(15)26;1-4-21(31)29-15-5-6-34-12-13(15)7-20-26-10-17-16(28-20)9-27-30(17)11-14-22(24)18(32-2)8-19(33-3)23(14)25;1-4-21(31)29-15-7-5-6-13(15)8-20-26-11-17-16(28-20)10-27-30(17)12-14-22(24)18(32-2)9-19(33-3)23(14)25/h2*4-5,7,10-11,14,16H,1,6,8-9,12-13H2,2-3H3,(H,29,31);4,8-10,13,15H,1,5-7,11-12H2,2-3H3,(H,29,31);4,9-11,13,15H,1,5-8,12H2,2-3H3,(H,29,31).

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

N-[2-[[1-[(2,6-dichloro-3,5-dimethoxyphenyl)methyl]pyrazolo[4,3-d]pyrimidin-5-yl]methyl]cyclopentyl]prop-2-enamide;N-[3-[[1-[(2,6-dichloro-3,5-dimethoxyphenyl)methyl]pyrazolo[4,3-d]pyrimidin-5-yl]methyl]oxan-4-yl]prop-2-enamide;N-[3-[[5-[(2,6-dichloro-3,5-dimethoxyphenyl)methyl]pyrrolo[3,2-d]pyrimidin-2-yl]methyl]oxan-4-yl]prop-2-enamide;N-[3-[[5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]pyrrolo[3,2-d]pyrimidin-2-yl]methyl]oxan-4-yl]prop-2-enamide has a molecular weight of 1974.67 g/mol, XLogP of 14.74, 32 rotatable bonds, 4 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[[1-[(2,6-dichloro-3,5-dimethoxyphenyl)methyl]pyrazolo[4,3-d]pyrimidin-5-yl]methyl]cyclopentyl]prop-2-enamide;N-[3-[[1-[(2,6-dichloro-3,5-dimethoxyphenyl)methyl]pyrazolo[4,3-d]pyrimidin-5-yl]methyl]oxan-4-yl]prop-2-enamide;N-[3-[[5-[(2,6-dichloro-3,5-dimethoxyphenyl)methyl]pyrrolo[3,2-d]pyrimidin-2-yl]methyl]oxan-4-yl]prop-2-enamide;N-[3-[[5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]pyrrolo[3,2-d]pyrimidin-2-yl]methyl]oxan-4-yl]prop-2-enamide is sourced from PubChem (CID 162018154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).