N-(1,3-benzodioxol-5-ylmethyl)-6-[(2-fluorophenyl)methyl]-5-methyl-7-[(2-methylpropan-2-yl)oxy]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(2-chlorophenyl)methyl]-6-[(4-chlorophenyl)methyl]-5-methyl-7-[(2-methylpropan-2-yl)oxy]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[2-(3,4-dimethoxyphenyl)ethyl]-6-[(2-fluorophenyl)methyl]-5-methyl-7-[(2-methylpropan-2-yl)oxy]pyrazolo[1,5-a]pyrimidine-3-carboxamide;6-[(2-fluorophenyl)methyl]-5-methyl-7-[(2-methylpropan-2-yl)oxy]-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C109H115Cl2F3N16O12 — CID 161259556

About N-(1,3-benzodioxol-5-ylmethyl)-6-[(2-fluorophenyl)methyl]-5-methyl-7-[(2-methylpropan-2-yl)oxy]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(2-chlorophenyl)methyl]-6-[(4-chlorophenyl)methyl]-5-methyl-7-[(2-methylpropan-2-yl)oxy]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[2-(3,4-dimethoxyphenyl)ethyl]-6-[(2-fluorophenyl)methyl]-5-methyl-7-[(2-methylpropan-2-yl)oxy]pyrazolo[1,5-a]pyrimidine-3-carboxamide;6-[(2-fluorophenyl)methyl]-5-methyl-7-[(2-methylpropan-2-yl)oxy]-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-(1,3-benzodioxol-5-ylmethyl)-6-[(2-fluorophenyl)methyl]-5-methyl-7-[(2-methylpropan-2-yl)oxy]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(2-chlorophenyl)methyl]-6-[(4-chlorophenyl)methyl]-5-methyl-7-[(2-methylpropan-2-yl)oxy]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[2-(3,4-dimethoxyphenyl)ethyl]-6-[(2-fluorophenyl)methyl]-5-methyl-7-[(2-methylpropan-2-yl)oxy]pyrazolo[1,5-a]pyrimidine-3-carboxamide;6-[(2-fluorophenyl)methyl]-5-methyl-7-[(2-methylpropan-2-yl)oxy]-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 161259556) has the molecular formula C109H115Cl2F3N16O12 and a molecular weight of 1969.12 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-6-[(2-fluorophenyl)methyl]-5-methyl-7-[(2-methylpropan-2-yl)oxy]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(2-chlorophenyl)methyl]-6-[(4-chlorophenyl)methyl]-5-methyl-7-[(2-methylpropan-2-yl)oxy]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[2-(3,4-dimethoxyphenyl)ethyl]-6-[(2-fluorophenyl)methyl]-5-methyl-7-[(2-methylpropan-2-yl)oxy]pyrazolo[1,5-a]pyrimidine-3-carboxamide;6-[(2-fluorophenyl)methyl]-5-methyl-7-[(2-methylpropan-2-yl)oxy]-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: N-(1,3-benzodioxol-5-ylmethyl)-6-[(2-fluorophenyl)methyl]-5-methyl-7-[(2-methylpropan-2-yl)oxy]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(2-chlorophenyl)methyl]-6-[(4-chlorophenyl)methyl]-5-methyl-7-[(2-methylpropan-2-yl)oxy]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[2-(3,4-dimethoxyphenyl)ethyl]-6-[(2-fluorophenyl)methyl]-5-methyl-7-[(2-methylpropan-2-yl)oxy]pyrazolo[1,5-a]pyrimidine-3-carboxamide;6-[(2-fluorophenyl)methyl]-5-methyl-7-[(2-methylpropan-2-yl)oxy]-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 161259556
• Molecular Formula: C109H115Cl2F3N16O12
• Molecular Weight: 1969.12 g/mol
• Exact Mass: 1966.82
• IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-6-[(2-fluorophenyl)methyl]-5-methyl-7-[(2-methylpropan-2-yl)oxy]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(2-chlorophenyl)methyl]-6-[(4-chlorophenyl)methyl]-5-methyl-7-[(2-methylpropan-2-yl)oxy]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[2-(3,4-dimethoxyphenyl)ethyl]-6-[(2-fluorophenyl)methyl]-5-methyl-7-[(2-methylpropan-2-yl)oxy]pyrazolo[1,5-a]pyrimidine-3-carboxamide;6-[(2-fluorophenyl)methyl]-5-methyl-7-[(2-methylpropan-2-yl)oxy]-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: COc1ccc(CCNC(=O)c2cnn3c(OC(C)(C)C)c(Cc4ccccc4F)c(C)nc23)cc1OC.Cc1nc2c(C(=O)NCCc3ccccc3)cnn2c(OC(C)(C)C)c1Cc1ccccc1F.Cc1nc2c(C(=O)NCc3ccc4c(c3)OCO4)cnn2c(OC(C)(C)C)c1Cc1ccccc1F.Cc1nc2c(C(=O)NCc3ccccc3Cl)cnn2c(OC(C)(C)C)c1Cc1ccc(Cl)cc1
• InChI: InChI=1S/C29H33FN4O4.C27H27FN4O4.C27H29FN4O2.C26H26Cl2N4O2/c1-18-21(16-20-9-7-8-10-23(20)30)28(38-29(2,3)4)34-26(33-18)22(17-32-34)27(35)31-14-13-19-11-12-24(36-5)25(15-19)37-6;1-16-19(12-18-7-5-6-8-21(18)28)26(36-27(2,3)4)32-24(31-16)20(14-30-32)25(33)29-13-17-9-10-22-23(11-17)35-15-34-22;1-18-21(16-20-12-8-9-13-23(20)28)26(34-27(2,3)4)32-24(31-18)22(17-30-32)25(33)29-15-14-19-10-6-5-7-11-19;1-16-20(13-17-9-11-19(27)12-10-17)25(34-26(2,3)4)32-23(31-16)21(15-30-32)24(33)29-14-18-7-5-6-8-22(18)28/h7-12,15,17H,13-14,16H2,1-6H3,(H,31,35);5-11,14H,12-13,15H2,1-4H3,(H,29,33);5-13,17H,14-16H2,1-4H3,(H,29,33);5-12,15H,13-14H2,1-4H3,(H,29,33)
• InChIKey: VCJIJRTWHTZHHU-UHFFFAOYSA-N
• XLogP: 20.50
• TPSA: 311.00 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 24
• Rotatable Bonds: 28
• Heavy Atoms: 142
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1969.12
LogP ≤ 5	20.50
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-6-[(2-fluorophenyl)methyl]-5-methyl-7-[(2-methylpropan-2-yl)oxy]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(2-chlorophenyl)methyl]-6-[(4-chlorophenyl)methyl]-5-methyl-7-[(2-methylpropan-2-yl)oxy]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[2-(3,4-dimethoxyphenyl)ethyl]-6-[(2-fluorophenyl)methyl]-5-methyl-7-[(2-methylpropan-2-yl)oxy]pyrazolo[1,5-a]pyrimidine-3-carboxamide;6-[(2-fluorophenyl)methyl]-5-methyl-7-[(2-methylpropan-2-yl)oxy]-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-6-[(2-fluorophenyl)methyl]-5-methyl-7-[(2-methylpropan-2-yl)oxy]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(2-chlorophenyl)methyl]-6-[(4-chlorophenyl)methyl]-5-methyl-7-[(2-methylpropan-2-yl)oxy]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[2-(3,4-dimethoxyphenyl)ethyl]-6-[(2-fluorophenyl)methyl]-5-methyl-7-[(2-methylpropan-2-yl)oxy]pyrazolo[1,5-a]pyrimidine-3-carboxamide;6-[(2-fluorophenyl)methyl]-5-methyl-7-[(2-methylpropan-2-yl)oxy]-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 161259556) is N-(1,3-benzodioxol-5-ylmethyl)-6-[(2-fluorophenyl)methyl]-5-methyl-7-[(2-methylpropan-2-yl)oxy]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(2-chlorophenyl)methyl]-6-[(4-chlorophenyl)methyl]-5-methyl-7-[(2-methylpropan-2-yl)oxy]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[2-(3,4-dimethoxyphenyl)ethyl]-6-[(2-fluorophenyl)methyl]-5-methyl-7-[(2-methylpropan-2-yl)oxy]pyrazolo[1,5-a]pyrimidine-3-carboxamide;6-[(2-fluorophenyl)methyl]-5-methyl-7-[(2-methylpropan-2-yl)oxy]-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-6-[(2-fluorophenyl)methyl]-5-methyl-7-[(2-methylpropan-2-yl)oxy]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(2-chlorophenyl)methyl]-6-[(4-chlorophenyl)methyl]-5-methyl-7-[(2-methylpropan-2-yl)oxy]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[2-(3,4-dimethoxyphenyl)ethyl]-6-[(2-fluorophenyl)methyl]-5-methyl-7-[(2-methylpropan-2-yl)oxy]pyrazolo[1,5-a]pyrimidine-3-carboxamide;6-[(2-fluorophenyl)methyl]-5-methyl-7-[(2-methylpropan-2-yl)oxy]-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-6-[(2-fluorophenyl)methyl]-5-methyl-7-[(2-methylpropan-2-yl)oxy]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(2-chlorophenyl)methyl]-6-[(4-chlorophenyl)methyl]-5-methyl-7-[(2-methylpropan-2-yl)oxy]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[2-(3,4-dimethoxyphenyl)ethyl]-6-[(2-fluorophenyl)methyl]-5-methyl-7-[(2-methylpropan-2-yl)oxy]pyrazolo[1,5-a]pyrimidine-3-carboxamide;6-[(2-fluorophenyl)methyl]-5-methyl-7-[(2-methylpropan-2-yl)oxy]-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is COc1ccc(CCNC(=O)c2cnn3c(OC(C)(C)C)c(Cc4ccccc4F)c(C)nc23)cc1OC.Cc1nc2c(C(=O)NCCc3ccccc3)cnn2c(OC(C)(C)C)c1Cc1ccccc1F.Cc1nc2c(C(=O)NCc3ccc4c(c3)OCO4)cnn2c(OC(C)(C)C)c1Cc1ccccc1F.Cc1nc2c(C(=O)NCc3ccccc3Cl)cnn2c(OC(C)(C)C)c1Cc1ccc(Cl)cc1.

What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-6-[(2-fluorophenyl)methyl]-5-methyl-7-[(2-methylpropan-2-yl)oxy]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(2-chlorophenyl)methyl]-6-[(4-chlorophenyl)methyl]-5-methyl-7-[(2-methylpropan-2-yl)oxy]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[2-(3,4-dimethoxyphenyl)ethyl]-6-[(2-fluorophenyl)methyl]-5-methyl-7-[(2-methylpropan-2-yl)oxy]pyrazolo[1,5-a]pyrimidine-3-carboxamide;6-[(2-fluorophenyl)methyl]-5-methyl-7-[(2-methylpropan-2-yl)oxy]-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is VCJIJRTWHTZHHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33FN4O4.C27H27FN4O4.C27H29FN4O2.C26H26Cl2N4O2/c1-18-21(16-20-9-7-8-10-23(20)30)28(38-29(2,3)4)34-26(33-18)22(17-32-34)27(35)31-14-13-19-11-12-24(36-5)25(15-19)37-6;1-16-19(12-18-7-5-6-8-21(18)28)26(36-27(2,3)4)32-24(31-16)20(14-30-32)25(33)29-13-17-9-10-22-23(11-17)35-15-34-22;1-18-21(16-20-12-8-9-13-23(20)28)26(34-27(2,3)4)32-24(31-18)22(17-30-32)25(33)29-15-14-19-10-6-5-7-11-19;1-16-20(13-17-9-11-19(27)12-10-17)25(34-26(2,3)4)32-23(31-16)21(15-30-32)24(33)29-14-18-7-5-6-8-22(18)28/h7-12,15,17H,13-14,16H2,1-6H3,(H,31,35);5-11,14H,12-13,15H2,1-4H3,(H,29,33);5-13,17H,14-16H2,1-4H3,(H,29,33);5-12,15H,13-14H2,1-4H3,(H,29,33).

What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-6-[(2-fluorophenyl)methyl]-5-methyl-7-[(2-methylpropan-2-yl)oxy]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(2-chlorophenyl)methyl]-6-[(4-chlorophenyl)methyl]-5-methyl-7-[(2-methylpropan-2-yl)oxy]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[2-(3,4-dimethoxyphenyl)ethyl]-6-[(2-fluorophenyl)methyl]-5-methyl-7-[(2-methylpropan-2-yl)oxy]pyrazolo[1,5-a]pyrimidine-3-carboxamide;6-[(2-fluorophenyl)methyl]-5-methyl-7-[(2-methylpropan-2-yl)oxy]-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

N-(1,3-benzodioxol-5-ylmethyl)-6-[(2-fluorophenyl)methyl]-5-methyl-7-[(2-methylpropan-2-yl)oxy]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(2-chlorophenyl)methyl]-6-[(4-chlorophenyl)methyl]-5-methyl-7-[(2-methylpropan-2-yl)oxy]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[2-(3,4-dimethoxyphenyl)ethyl]-6-[(2-fluorophenyl)methyl]-5-methyl-7-[(2-methylpropan-2-yl)oxy]pyrazolo[1,5-a]pyrimidine-3-carboxamide;6-[(2-fluorophenyl)methyl]-5-methyl-7-[(2-methylpropan-2-yl)oxy]-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 1969.12 g/mol, XLogP of 20.50, 28 rotatable bonds, 4 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1,3-benzodioxol-5-ylmethyl)-6-[(2-fluorophenyl)methyl]-5-methyl-7-[(2-methylpropan-2-yl)oxy]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(2-chlorophenyl)methyl]-6-[(4-chlorophenyl)methyl]-5-methyl-7-[(2-methylpropan-2-yl)oxy]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[2-(3,4-dimethoxyphenyl)ethyl]-6-[(2-fluorophenyl)methyl]-5-methyl-7-[(2-methylpropan-2-yl)oxy]pyrazolo[1,5-a]pyrimidine-3-carboxamide;6-[(2-fluorophenyl)methyl]-5-methyl-7-[(2-methylpropan-2-yl)oxy]-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 161259556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).