N-[2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-9H-xanthene-9-carboxamide

C29H20FN7O2 — CID 41242208

About N-[2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-9H-xanthene-9-carboxamide

N-[2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-9H-xanthene-9-carboxamide (PubChem CID 41242208) has the molecular formula C29H20FN7O2 and a molecular weight of 517.52 g/mol. Its IUPAC name is N-[2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-9H-xanthene-9-carboxamide.

Molecular Properties

• Compound Name: N-[2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-9H-xanthene-9-carboxamide
• PubChem CID: 41242208
• Molecular Formula: C29H20FN7O2
• Molecular Weight: 517.52 g/mol
• Exact Mass: 517.17
• IUPAC Name: N-[2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-9H-xanthene-9-carboxamide
• SMILES: Cc1cc(NC(=O)C2c3ccccc3Oc3ccccc32)n(-c2ncnc3c2cnn3-c2ccc(F)cc2)n1
• InChI: InChI=1S/C29H20FN7O2/c1-17-14-25(34-29(38)26-20-6-2-4-8-23(20)39-24-9-5-3-7-21(24)26)37(35-17)28-22-15-33-36(27(22)31-16-32-28)19-12-10-18(30)11-13-19/h2-16,26H,1H3,(H,34,38)
• InChIKey: YTRONSNCBFDHIB-UHFFFAOYSA-N
• XLogP: 5.33
• TPSA: 99.75 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	517.52
LogP ≤ 5	5.33
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-9H-xanthene-9-carboxamide?

The IUPAC name of N-[2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-9H-xanthene-9-carboxamide (CID 41242208) is N-[2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-9H-xanthene-9-carboxamide.

What is the SMILES notation for N-[2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-9H-xanthene-9-carboxamide?

The canonical SMILES for N-[2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-9H-xanthene-9-carboxamide is Cc1cc(NC(=O)C2c3ccccc3Oc3ccccc32)n(-c2ncnc3c2cnn3-c2ccc(F)cc2)n1.

What is the InChIKey of N-[2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-9H-xanthene-9-carboxamide?

The InChIKey is YTRONSNCBFDHIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H20FN7O2/c1-17-14-25(34-29(38)26-20-6-2-4-8-23(20)39-24-9-5-3-7-21(24)26)37(35-17)28-22-15-33-36(27(22)31-16-32-28)19-12-10-18(30)11-13-19/h2-16,26H,1H3,(H,34,38).

What are the key properties of N-[2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-9H-xanthene-9-carboxamide?

N-[2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-9H-xanthene-9-carboxamide has a molecular weight of 517.52 g/mol, XLogP of 5.33, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-9H-xanthene-9-carboxamide is sourced from PubChem (CID 41242208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).