7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(3,4-difluorophenyl)methyl]-3-N-phenylpyrazolo[1,5-a]pyrimidine-3,5,7-tricarboxamide;3-N-(2-chlorophenyl)-5-N-[(3,4-difluorophenyl)methyl]-7-N-[5-(1-hydroxyethenyl)-4-methyl-2,3-dihydro-1H-inden-1-yl]pyrazolo[1,5-a]pyrimidine-3,5,7-tricarboxamide

C68H55ClF4N12O8 — CID 90881844

About 7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(3,4-difluorophenyl)methyl]-3-N-phenylpyrazolo[1,5-a]pyrimidine-3,5,7-tricarboxamide;3-N-(2-chlorophenyl)-5-N-[(3,4-difluorophenyl)methyl]-7-N-[5-(1-hydroxyethenyl)-4-methyl-2,3-dihydro-1H-inden-1-yl]pyrazolo[1,5-a]pyrimidine-3,5,7-tricarboxamide

7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(3,4-difluorophenyl)methyl]-3-N-phenylpyrazolo[1,5-a]pyrimidine-3,5,7-tricarboxamide;3-N-(2-chlorophenyl)-5-N-[(3,4-difluorophenyl)methyl]-7-N-[5-(1-hydroxyethenyl)-4-methyl-2,3-dihydro-1H-inden-1-yl]pyrazolo[1,5-a]pyrimidine-3,5,7-tricarboxamide (PubChem CID 90881844) has the molecular formula C68H55ClF4N12O8 and a molecular weight of 1279.71 g/mol. Its IUPAC name is 7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(3,4-difluorophenyl)methyl]-3-N-phenylpyrazolo[1,5-a]pyrimidine-3,5,7-tricarboxamide;3-N-(2-chlorophenyl)-5-N-[(3,4-difluorophenyl)methyl]-7-N-[5-(1-hydroxyethenyl)-4-methyl-2,3-dihydro-1H-inden-1-yl]pyrazolo[1,5-a]pyrimidine-3,5,7-tricarboxamide.

Molecular Properties

• Compound Name: 7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(3,4-difluorophenyl)methyl]-3-N-phenylpyrazolo[1,5-a]pyrimidine-3,5,7-tricarboxamide;3-N-(2-chlorophenyl)-5-N-[(3,4-difluorophenyl)methyl]-7-N-[5-(1-hydroxyethenyl)-4-methyl-2,3-dihydro-1H-inden-1-yl]pyrazolo[1,5-a]pyrimidine-3,5,7-tricarboxamide
• PubChem CID: 90881844
• Molecular Formula: C68H55ClF4N12O8
• Molecular Weight: 1279.71 g/mol
• Exact Mass: 1278.39
• IUPAC Name: 7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(3,4-difluorophenyl)methyl]-3-N-phenylpyrazolo[1,5-a]pyrimidine-3,5,7-tricarboxamide;3-N-(2-chlorophenyl)-5-N-[(3,4-difluorophenyl)methyl]-7-N-[5-(1-hydroxyethenyl)-4-methyl-2,3-dihydro-1H-inden-1-yl]pyrazolo[1,5-a]pyrimidine-3,5,7-tricarboxamide
• SMILES: C=C(O)c1ccc2c(c1C)CCC2NC(=O)c1cc(C(=O)NCc2ccc(F)c(F)c2)nc2c(C(=O)Nc3ccccc3Cl)cnn12.CC(=O)c1ccc2c(c1C)CC[C@@H]2NC(=O)c1cc(C(=O)NCc2ccc(F)c(F)c2)nc2c(C(=O)Nc3ccccc3)cnn12
• InChI: InChI=1S/C34H27ClF2N6O4.C34H28F2N6O4/c1-17-20(18(2)44)8-9-22-21(17)10-12-27(22)41-34(47)30-14-29(33(46)38-15-19-7-11-25(36)26(37)13-19)40-31-23(16-39-43(30)31)32(45)42-28-6-4-3-5-24(28)35;1-18-22(19(2)43)9-10-24-23(18)11-13-28(24)41-34(46)30-15-29(33(45)37-16-20-8-12-26(35)27(36)14-20)40-31-25(17-38-42(30)31)32(44)39-21-6-4-3-5-7-21/h3-9,11,13-14,16,27,44H,2,10,12,15H2,1H3,(H,38,46)(H,41,47)(H,42,45);3-10,12,14-15,17,28H,11,13,16H2,1-2H3,(H,37,45)(H,39,44)(H,41,46)/t;28-/m.0/s1
• InChIKey: DRGPKIFVSZFIPX-JOFZZQCASA-N
• XLogP: 11.22
• TPSA: 272.28 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 14
• Rotatable Bonds: 16
• Heavy Atoms: 93
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1279.71
LogP ≤ 5	11.22
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(3,4-difluorophenyl)methyl]-3-N-phenylpyrazolo[1,5-a]pyrimidine-3,5,7-tricarboxamide;3-N-(2-chlorophenyl)-5-N-[(3,4-difluorophenyl)methyl]-7-N-[5-(1-hydroxyethenyl)-4-methyl-2,3-dihydro-1H-inden-1-yl]pyrazolo[1,5-a]pyrimidine-3,5,7-tricarboxamide?

The IUPAC name of 7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(3,4-difluorophenyl)methyl]-3-N-phenylpyrazolo[1,5-a]pyrimidine-3,5,7-tricarboxamide;3-N-(2-chlorophenyl)-5-N-[(3,4-difluorophenyl)methyl]-7-N-[5-(1-hydroxyethenyl)-4-methyl-2,3-dihydro-1H-inden-1-yl]pyrazolo[1,5-a]pyrimidine-3,5,7-tricarboxamide (CID 90881844) is 7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(3,4-difluorophenyl)methyl]-3-N-phenylpyrazolo[1,5-a]pyrimidine-3,5,7-tricarboxamide;3-N-(2-chlorophenyl)-5-N-[(3,4-difluorophenyl)methyl]-7-N-[5-(1-hydroxyethenyl)-4-methyl-2,3-dihydro-1H-inden-1-yl]pyrazolo[1,5-a]pyrimidine-3,5,7-tricarboxamide.

What is the SMILES notation for 7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(3,4-difluorophenyl)methyl]-3-N-phenylpyrazolo[1,5-a]pyrimidine-3,5,7-tricarboxamide;3-N-(2-chlorophenyl)-5-N-[(3,4-difluorophenyl)methyl]-7-N-[5-(1-hydroxyethenyl)-4-methyl-2,3-dihydro-1H-inden-1-yl]pyrazolo[1,5-a]pyrimidine-3,5,7-tricarboxamide?

The canonical SMILES for 7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(3,4-difluorophenyl)methyl]-3-N-phenylpyrazolo[1,5-a]pyrimidine-3,5,7-tricarboxamide;3-N-(2-chlorophenyl)-5-N-[(3,4-difluorophenyl)methyl]-7-N-[5-(1-hydroxyethenyl)-4-methyl-2,3-dihydro-1H-inden-1-yl]pyrazolo[1,5-a]pyrimidine-3,5,7-tricarboxamide is C=C(O)c1ccc2c(c1C)CCC2NC(=O)c1cc(C(=O)NCc2ccc(F)c(F)c2)nc2c(C(=O)Nc3ccccc3Cl)cnn12.CC(=O)c1ccc2c(c1C)CC[C@@H]2NC(=O)c1cc(C(=O)NCc2ccc(F)c(F)c2)nc2c(C(=O)Nc3ccccc3)cnn12.

What is the InChIKey of 7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(3,4-difluorophenyl)methyl]-3-N-phenylpyrazolo[1,5-a]pyrimidine-3,5,7-tricarboxamide;3-N-(2-chlorophenyl)-5-N-[(3,4-difluorophenyl)methyl]-7-N-[5-(1-hydroxyethenyl)-4-methyl-2,3-dihydro-1H-inden-1-yl]pyrazolo[1,5-a]pyrimidine-3,5,7-tricarboxamide?

The InChIKey is DRGPKIFVSZFIPX-JOFZZQCASA-N. The full InChI is InChI=1S/C34H27ClF2N6O4.C34H28F2N6O4/c1-17-20(18(2)44)8-9-22-21(17)10-12-27(22)41-34(47)30-14-29(33(46)38-15-19-7-11-25(36)26(37)13-19)40-31-23(16-39-43(30)31)32(45)42-28-6-4-3-5-24(28)35;1-18-22(19(2)43)9-10-24-23(18)11-13-28(24)41-34(46)30-15-29(33(45)37-16-20-8-12-26(35)27(36)14-20)40-31-25(17-38-42(30)31)32(44)39-21-6-4-3-5-7-21/h3-9,11,13-14,16,27,44H,2,10,12,15H2,1H3,(H,38,46)(H,41,47)(H,42,45);3-10,12,14-15,17,28H,11,13,16H2,1-2H3,(H,37,45)(H,39,44)(H,41,46)/t;28-/m.0/s1.

What are the key properties of 7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(3,4-difluorophenyl)methyl]-3-N-phenylpyrazolo[1,5-a]pyrimidine-3,5,7-tricarboxamide;3-N-(2-chlorophenyl)-5-N-[(3,4-difluorophenyl)methyl]-7-N-[5-(1-hydroxyethenyl)-4-methyl-2,3-dihydro-1H-inden-1-yl]pyrazolo[1,5-a]pyrimidine-3,5,7-tricarboxamide?

7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(3,4-difluorophenyl)methyl]-3-N-phenylpyrazolo[1,5-a]pyrimidine-3,5,7-tricarboxamide;3-N-(2-chlorophenyl)-5-N-[(3,4-difluorophenyl)methyl]-7-N-[5-(1-hydroxyethenyl)-4-methyl-2,3-dihydro-1H-inden-1-yl]pyrazolo[1,5-a]pyrimidine-3,5,7-tricarboxamide has a molecular weight of 1279.71 g/mol, XLogP of 11.22, 16 rotatable bonds, 7 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(3,4-difluorophenyl)methyl]-3-N-phenylpyrazolo[1,5-a]pyrimidine-3,5,7-tricarboxamide;3-N-(2-chlorophenyl)-5-N-[(3,4-difluorophenyl)methyl]-7-N-[5-(1-hydroxyethenyl)-4-methyl-2,3-dihydro-1H-inden-1-yl]pyrazolo[1,5-a]pyrimidine-3,5,7-tricarboxamide is sourced from PubChem (CID 90881844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).