2-cyclohexyl-1-[5-[2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]propan-1-one

C24H28FN5O — CID 123616591

About 2-cyclohexyl-1-[5-[2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]propan-1-one

2-cyclohexyl-1-[5-[2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]propan-1-one (PubChem CID 123616591) has the molecular formula C24H28FN5O and a molecular weight of 421.52 g/mol. Its IUPAC name is 2-cyclohexyl-1-[5-[2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]propan-1-one.

Molecular Properties

• Compound Name: 2-cyclohexyl-1-[5-[2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]propan-1-one
• PubChem CID: 123616591
• Molecular Formula: C24H28FN5O
• Molecular Weight: 421.52 g/mol
• Exact Mass: 421.23
• IUPAC Name: 2-cyclohexyl-1-[5-[2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]propan-1-one
• SMILES: CC(C(=O)c1cnn2ccc(N3CCCC3c3cncc(F)c3)nc12)C1CCCCC1
• InChI: InChI=1S/C24H28FN5O/c1-16(17-6-3-2-4-7-17)23(31)20-15-27-30-11-9-22(28-24(20)30)29-10-5-8-21(29)18-12-19(25)14-26-13-18/h9,11-17,21H,2-8,10H2,1H3
• InChIKey: VSTKVFZCHNCZFA-UHFFFAOYSA-N
• XLogP: 5.00
• TPSA: 63.39 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	421.52
LogP ≤ 5	5.00
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1-[5-[2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]propan-1-one?

The IUPAC name of 2-cyclohexyl-1-[5-[2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]propan-1-one (CID 123616591) is 2-cyclohexyl-1-[5-[2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]propan-1-one.

What is the SMILES notation for 2-cyclohexyl-1-[5-[2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]propan-1-one?

The canonical SMILES for 2-cyclohexyl-1-[5-[2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]propan-1-one is CC(C(=O)c1cnn2ccc(N3CCCC3c3cncc(F)c3)nc12)C1CCCCC1.

What is the InChIKey of 2-cyclohexyl-1-[5-[2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]propan-1-one?

The InChIKey is VSTKVFZCHNCZFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN5O/c1-16(17-6-3-2-4-7-17)23(31)20-15-27-30-11-9-22(28-24(20)30)29-10-5-8-21(29)18-12-19(25)14-26-13-18/h9,11-17,21H,2-8,10H2,1H3.

What are the key properties of 2-cyclohexyl-1-[5-[2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]propan-1-one?

2-cyclohexyl-1-[5-[2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]propan-1-one has a molecular weight of 421.52 g/mol, XLogP of 5.00, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-cyclohexyl-1-[5-[2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]propan-1-one is sourced from PubChem (CID 123616591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).