1-butyl-4-(3-fluoroazetidin-1-yl)-3-(2-methylpropyl)pyrazolo[5,4-d]pyrimidine

C16H24FN5 — CID 162633264

IUPAC1-butyl-4-(3-fluoroazetidin-1-yl)-3-(2-methylpropyl)pyrazolo[5,4-d]pyrimidine
SMILESCCCCn1nc(CC(C)C)c2c(N3CC(F)C3)ncnc21
InChIInChI=1S/C16H24FN5/c1-4-5-6-22-16-14(13(20-22)7-11(2)3)15(18-10-19-16)21-8-12(17)9-21/h10-12H,4-9H2,1-3H3
InChIKeyINTJQYALZAIWJB-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.98
Rot. Bonds6

About 1-butyl-4-(3-fluoroazetidin-1-yl)-3-(2-methylpropyl)pyrazolo[5,4-d]pyrimidine

1-butyl-4-(3-fluoroazetidin-1-yl)-3-(2-methylpropyl)pyrazolo[5,4-d]pyrimidine (PubChem CID 162633264) has the molecular formula C16H24FN5 and a molecular weight of 305.40 g/mol. Its IUPAC name is 1-butyl-4-(3-fluoroazetidin-1-yl)-3-(2-methylpropyl)pyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name1-butyl-4-(3-fluoroazetidin-1-yl)-3-(2-methylpropyl)pyrazolo[5,4-d]pyrimidine
PubChem CID162633264
Molecular FormulaC16H24FN5
Molecular Weight305.40 g/mol
Exact Mass305.20
IUPAC Name1-butyl-4-(3-fluoroazetidin-1-yl)-3-(2-methylpropyl)pyrazolo[5,4-d]pyrimidine
SMILESCCCCn1nc(CC(C)C)c2c(N3CC(F)C3)ncnc21
InChIInChI=1S/C16H24FN5/c1-4-5-6-22-16-14(13(20-22)7-11(2)3)15(18-10-19-16)21-8-12(17)9-21/h10-12H,4-9H2,1-3H3
InChIKeyINTJQYALZAIWJB-UHFFFAOYSA-N
XLogP2.98
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-(3-fluoroazetidin-1-yl)-3-(2-methylpropyl)pyrazolo[5,4-d]pyrimidine?
The IUPAC name of 1-butyl-4-(3-fluoroazetidin-1-yl)-3-(2-methylpropyl)pyrazolo[5,4-d]pyrimidine (CID 162633264) is 1-butyl-4-(3-fluoroazetidin-1-yl)-3-(2-methylpropyl)pyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 1-butyl-4-(3-fluoroazetidin-1-yl)-3-(2-methylpropyl)pyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 1-butyl-4-(3-fluoroazetidin-1-yl)-3-(2-methylpropyl)pyrazolo[5,4-d]pyrimidine is CCCCn1nc(CC(C)C)c2c(N3CC(F)C3)ncnc21.
What is the InChIKey of 1-butyl-4-(3-fluoroazetidin-1-yl)-3-(2-methylpropyl)pyrazolo[5,4-d]pyrimidine?
The InChIKey is INTJQYALZAIWJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN5/c1-4-5-6-22-16-14(13(20-22)7-11(2)3)15(18-10-19-16)21-8-12(17)9-21/h10-12H,4-9H2,1-3H3.
What are the key properties of 1-butyl-4-(3-fluoroazetidin-1-yl)-3-(2-methylpropyl)pyrazolo[5,4-d]pyrimidine?
1-butyl-4-(3-fluoroazetidin-1-yl)-3-(2-methylpropyl)pyrazolo[5,4-d]pyrimidine has a molecular weight of 305.40 g/mol, XLogP of 2.98, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-(3-fluoroazetidin-1-yl)-3-(2-methylpropyl)pyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 162633264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).