FZF

C₂₅H₂₉N₇O₃ — CID 155907519

About FZF

FZF (PubChem CID 155907519) has the molecular formula C₂₅H₂₉N₇O₃ and a molecular weight of 475.55 g/mol. Its IUPAC name is 4-(cyclohexylamino)-2-[2-methoxy-4-(morpholine-4-carbonyl)anilino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile.

Molecular Properties

• Compound Name: FZF
• PubChem CID: 155907519
• Molecular Formula: C₂₅H₂₉N₇O₃
• Molecular Weight: 475.55 g/mol
• Exact Mass: 475.23
• IUPAC Name: 4-(cyclohexylamino)-2-[2-methoxy-4-(morpholine-4-carbonyl)anilino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
• SMILES: COc1cc(C(=O)N2CCOCC2)ccc1Nc1nc(NC2CCCCC2)c2c(C#N)c[nH]c2n1
• InChI: InChI=1S/C25H29N7O3/c1-34-20-13-16(24(33)32-9-11-35-12-10-32)7-8-19(20)29-25-30-22-21(17(14-26)15-27-22)23(31-25)28-18-5-3-2-4-6-18/h7-8,13,15,18H,2-6,9-12H2,1H3,(H3,27,28,29,30,31)
• InChIKey: IOKQAXDJAARNRZ-UHFFFAOYSA-N
• XLogP: 3.80
• TPSA: 128.19 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	475.55
LogP ≤ 5	3.80
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of FZF?

The IUPAC name of FZF (CID 155907519) is 4-(cyclohexylamino)-2-[2-methoxy-4-(morpholine-4-carbonyl)anilino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile.

What is the SMILES notation for FZF?

The canonical SMILES for FZF is COc1cc(C(=O)N2CCOCC2)ccc1Nc1nc(NC2CCCCC2)c2c(C#N)c[nH]c2n1.

What is the InChIKey of FZF?

The InChIKey is IOKQAXDJAARNRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N7O3/c1-34-20-13-16(24(33)32-9-11-35-12-10-32)7-8-19(20)29-25-30-22-21(17(14-26)15-27-22)23(31-25)28-18-5-3-2-4-6-18/h7-8,13,15,18H,2-6,9-12H2,1H3,(H3,27,28,29,30,31).

What are the key properties of FZF?

FZF has a molecular weight of 475.55 g/mol, XLogP of 3.80, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for FZF is sourced from PubChem (CID 155907519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 155907519 — identifiers, structure, computed properties (public domain)

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