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

C25H30FN5O — CID 123790401

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

1-[5-[2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-(1-methylcyclobutyl)pentan-1-one (PubChem CID 123790401) has the molecular formula C25H30FN5O and a molecular weight of 435.55 g/mol. Its IUPAC name is 1-[5-[2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-(1-methylcyclobutyl)pentan-1-one.

Molecular Properties

• Compound Name: 1-[5-[2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-(1-methylcyclobutyl)pentan-1-one
• PubChem CID: 123790401
• Molecular Formula: C25H30FN5O
• Molecular Weight: 435.55 g/mol
• Exact Mass: 435.24
• IUPAC Name: 1-[5-[2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-(1-methylcyclobutyl)pentan-1-one
• SMILES: CCC(CC(=O)c1cnn2ccc(N3CCCC3c3cncc(F)c3)nc12)C1(C)CCC1
• InChI: InChI=1S/C25H30FN5O/c1-3-18(25(2)8-5-9-25)13-22(32)20-16-28-31-11-7-23(29-24(20)31)30-10-4-6-21(30)17-12-19(26)15-27-14-17/h7,11-12,14-16,18,21H,3-6,8-10,13H2,1-2H3
• InChIKey: CBWWTHLRXYQZHM-UHFFFAOYSA-N
• XLogP: 5.39
• TPSA: 63.39 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	435.55
LogP ≤ 5	5.39
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 1-[5-[2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-(1-methylcyclobutyl)pentan-1-one (CID 123790401) is 1-[5-[2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-(1-methylcyclobutyl)pentan-1-one.

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

The canonical SMILES for 1-[5-[2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-(1-methylcyclobutyl)pentan-1-one is CCC(CC(=O)c1cnn2ccc(N3CCCC3c3cncc(F)c3)nc12)C1(C)CCC1.

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

The InChIKey is CBWWTHLRXYQZHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30FN5O/c1-3-18(25(2)8-5-9-25)13-22(32)20-16-28-31-11-7-23(29-24(20)31)30-10-4-6-21(30)17-12-19(26)15-27-14-17/h7,11-12,14-16,18,21H,3-6,8-10,13H2,1-2H3.

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

1-[5-[2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-(1-methylcyclobutyl)pentan-1-one has a molecular weight of 435.55 g/mol, XLogP of 5.39, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-[2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-(1-methylcyclobutyl)pentan-1-one is sourced from PubChem (CID 123790401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).