7-N-[(1R,2R)-5-acetyl-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-fluoro-5-N-[(7-oxo-6,8-dihydro-5H-naphthalen-2-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide

C30H26FN5O5 — CID 161283043

About 7-N-[(1R,2R)-5-acetyl-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-fluoro-5-N-[(7-oxo-6,8-dihydro-5H-naphthalen-2-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide

7-N-[(1R,2R)-5-acetyl-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-fluoro-5-N-[(7-oxo-6,8-dihydro-5H-naphthalen-2-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide (PubChem CID 161283043) has the molecular formula C30H26FN5O5 and a molecular weight of 555.57 g/mol. Its IUPAC name is 7-N-[(1R,2R)-5-acetyl-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-fluoro-5-N-[(7-oxo-6,8-dihydro-5H-naphthalen-2-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide.

Molecular Properties

• Compound Name: 7-N-[(1R,2R)-5-acetyl-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-fluoro-5-N-[(7-oxo-6,8-dihydro-5H-naphthalen-2-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
• PubChem CID: 161283043
• Molecular Formula: C30H26FN5O5
• Molecular Weight: 555.57 g/mol
• Exact Mass: 555.19
• IUPAC Name: 7-N-[(1R,2R)-5-acetyl-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-fluoro-5-N-[(7-oxo-6,8-dihydro-5H-naphthalen-2-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
• SMILES: CC(=O)c1ccc2c(c1)C[C@@H](O)[C@@H]2NC(=O)c1cc(C(=O)NCc2ccc3c(c2)CC(=O)CC3)nc2c(F)cnn12
• InChI: InChI=1S/C30H26FN5O5/c1-15(37)18-5-7-22-20(9-18)11-26(39)27(22)35-30(41)25-12-24(34-28-23(31)14-33-36(25)28)29(40)32-13-16-2-3-17-4-6-21(38)10-19(17)8-16/h2-3,5,7-9,12,14,26-27,39H,4,6,10-11,13H2,1H3,(H,32,40)(H,35,41)/t26-,27-/m1/s1
• InChIKey: ZJCHGOASAZLKKD-KAYWLYCHSA-N
• XLogP: 2.45
• TPSA: 142.76 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	555.57
LogP ≤ 5	2.45
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 7-N-[(1R,2R)-5-acetyl-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-fluoro-5-N-[(7-oxo-6,8-dihydro-5H-naphthalen-2-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?

The IUPAC name of 7-N-[(1R,2R)-5-acetyl-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-fluoro-5-N-[(7-oxo-6,8-dihydro-5H-naphthalen-2-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide (CID 161283043) is 7-N-[(1R,2R)-5-acetyl-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-fluoro-5-N-[(7-oxo-6,8-dihydro-5H-naphthalen-2-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide.

What is the SMILES notation for 7-N-[(1R,2R)-5-acetyl-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-fluoro-5-N-[(7-oxo-6,8-dihydro-5H-naphthalen-2-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?

The canonical SMILES for 7-N-[(1R,2R)-5-acetyl-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-fluoro-5-N-[(7-oxo-6,8-dihydro-5H-naphthalen-2-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide is CC(=O)c1ccc2c(c1)C[C@@H](O)[C@@H]2NC(=O)c1cc(C(=O)NCc2ccc3c(c2)CC(=O)CC3)nc2c(F)cnn12.

What is the InChIKey of 7-N-[(1R,2R)-5-acetyl-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-fluoro-5-N-[(7-oxo-6,8-dihydro-5H-naphthalen-2-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?

The InChIKey is ZJCHGOASAZLKKD-KAYWLYCHSA-N. The full InChI is InChI=1S/C30H26FN5O5/c1-15(37)18-5-7-22-20(9-18)11-26(39)27(22)35-30(41)25-12-24(34-28-23(31)14-33-36(25)28)29(40)32-13-16-2-3-17-4-6-21(38)10-19(17)8-16/h2-3,5,7-9,12,14,26-27,39H,4,6,10-11,13H2,1H3,(H,32,40)(H,35,41)/t26-,27-/m1/s1.

What are the key properties of 7-N-[(1R,2R)-5-acetyl-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-fluoro-5-N-[(7-oxo-6,8-dihydro-5H-naphthalen-2-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?

7-N-[(1R,2R)-5-acetyl-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-fluoro-5-N-[(7-oxo-6,8-dihydro-5H-naphthalen-2-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide has a molecular weight of 555.57 g/mol, XLogP of 2.45, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 7-N-[(1R,2R)-5-acetyl-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-fluoro-5-N-[(7-oxo-6,8-dihydro-5H-naphthalen-2-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide is sourced from PubChem (CID 161283043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).