5-[2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]-N-(2-hydroxycyclohexyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C22H25FN6O2 — CID 77304224

About 5-[2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]-N-(2-hydroxycyclohexyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

5-[2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]-N-(2-hydroxycyclohexyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 77304224) has the molecular formula C22H25FN6O2 and a molecular weight of 424.48 g/mol. Its IUPAC name is 5-[2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]-N-(2-hydroxycyclohexyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: 5-[2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]-N-(2-hydroxycyclohexyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 77304224
• Molecular Formula: C22H25FN6O2
• Molecular Weight: 424.48 g/mol
• Exact Mass: 424.20
• IUPAC Name: 5-[2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]-N-(2-hydroxycyclohexyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: O=C(NC1CCCCC1O)c1cnn2ccc(N3CCCC3c3cncc(F)c3)nc12
• InChI: InChI=1S/C22H25FN6O2/c23-15-10-14(11-24-12-15)18-5-3-8-28(18)20-7-9-29-21(27-20)16(13-25-29)22(31)26-17-4-1-2-6-19(17)30/h7,9-13,17-19,30H,1-6,8H2,(H,26,31)
• InChIKey: XCLDJXYOZUVDAT-UHFFFAOYSA-N
• XLogP: 2.64
• TPSA: 95.65 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	424.48
LogP ≤ 5	2.64
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-[2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]-N-(2-hydroxycyclohexyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of 5-[2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]-N-(2-hydroxycyclohexyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 77304224) is 5-[2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]-N-(2-hydroxycyclohexyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for 5-[2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]-N-(2-hydroxycyclohexyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for 5-[2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]-N-(2-hydroxycyclohexyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C(NC1CCCCC1O)c1cnn2ccc(N3CCCC3c3cncc(F)c3)nc12.

What is the InChIKey of 5-[2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]-N-(2-hydroxycyclohexyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is XCLDJXYOZUVDAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN6O2/c23-15-10-14(11-24-12-15)18-5-3-8-28(18)20-7-9-29-21(27-20)16(13-25-29)22(31)26-17-4-1-2-6-19(17)30/h7,9-13,17-19,30H,1-6,8H2,(H,26,31).

What are the key properties of 5-[2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]-N-(2-hydroxycyclohexyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

5-[2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]-N-(2-hydroxycyclohexyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 424.48 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]-N-(2-hydroxycyclohexyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 77304224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).