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

C18H27F2N5 — CID 162630465

IUPAC1-butyl-4-(4,4-difluoropiperidin-1-yl)-3-(2-methylpropyl)pyrazolo[5,4-d]pyrimidine
SMILESCCCCn1nc(CC(C)C)c2c(N3CCC(F)(F)CC3)ncnc21
InChIInChI=1S/C18H27F2N5/c1-4-5-8-25-17-15(14(23-25)11-13(2)3)16(21-12-22-17)24-9-6-18(19,20)7-10-24/h12-13H,4-11H2,1-3H3
InChIKeyZIYQWYPSDMIESE-UHFFFAOYSA-N
MW351.45 g/mol
LogP4.06
Rot. Bonds6

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

1-butyl-4-(4,4-difluoropiperidin-1-yl)-3-(2-methylpropyl)pyrazolo[5,4-d]pyrimidine (PubChem CID 162630465) has the molecular formula C18H27F2N5 and a molecular weight of 351.45 g/mol. Its IUPAC name is 1-butyl-4-(4,4-difluoropiperidin-1-yl)-3-(2-methylpropyl)pyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name1-butyl-4-(4,4-difluoropiperidin-1-yl)-3-(2-methylpropyl)pyrazolo[5,4-d]pyrimidine
PubChem CID162630465
Molecular FormulaC18H27F2N5
Molecular Weight351.45 g/mol
Exact Mass351.22
IUPAC Name1-butyl-4-(4,4-difluoropiperidin-1-yl)-3-(2-methylpropyl)pyrazolo[5,4-d]pyrimidine
SMILESCCCCn1nc(CC(C)C)c2c(N3CCC(F)(F)CC3)ncnc21
InChIInChI=1S/C18H27F2N5/c1-4-5-8-25-17-15(14(23-25)11-13(2)3)16(21-12-22-17)24-9-6-18(19,20)7-10-24/h12-13H,4-11H2,1-3H3
InChIKeyZIYQWYPSDMIESE-UHFFFAOYSA-N
XLogP4.06
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-butyl-3-(2-methylpropyl)pyrazolo[5,4-d]pyrimidin-4-yl]azetidin-3-ol
CID 162630698
1-butyl-4-[3-(methoxymethyl)pyrrolidin-1-yl]-3-(2-methylpropyl)pyrazolo[5,4-d]pyrimidine
CID 157012782
1-[1-butyl-3-(2-methylpropyl)pyrazolo[5,4-d]pyrimidin-4-yl]-N,N-dimethylpiperidin-3-amine
CID 162625527
(3R,4R)-1-[1-butyl-3-(2-methylpropyl)pyrazolo[5,4-d]pyrimidin-4-yl]-4-(hydroxymethyl)piperidin-3-ol
CID 164696494
1-butyl-N-(2-methyl-2-morpholin-4-ylpropyl)-3-(2-methylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 157013344
1-[2-[[1-butyl-3-(2-methylpropyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]ethyl]-3-methylimidazolidin-2-one
CID 157013829
1-butyl-3-(2-methylpropyl)-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 162633743
3-butyl-7-(3,3,4,4-tetrafluoropyrrolidin-1-yl)triazolo[4,5-d]pyrimidine
CID 151928924
2-[[[1-butyl-3-(2-methylpropyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]methyl]-4-methyl-1H-pyrimidin-6-one
CID 157017888
1-(1,3-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-4-(hydroxymethyl)piperidin-4-ol
CID 70749775
4,4-difluoro-1-(1-methylimidazol-4-yl)piperidine
CID 175988491
[1-(9-ethylpurin-6-yl)-4-(2-methylpropylamino)piperidin-4-yl]methanol
CID 125420591

Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-(4,4-difluoropiperidin-1-yl)-3-(2-methylpropyl)pyrazolo[5,4-d]pyrimidine?
The IUPAC name of 1-butyl-4-(4,4-difluoropiperidin-1-yl)-3-(2-methylpropyl)pyrazolo[5,4-d]pyrimidine (CID 162630465) is 1-butyl-4-(4,4-difluoropiperidin-1-yl)-3-(2-methylpropyl)pyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 1-butyl-4-(4,4-difluoropiperidin-1-yl)-3-(2-methylpropyl)pyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 1-butyl-4-(4,4-difluoropiperidin-1-yl)-3-(2-methylpropyl)pyrazolo[5,4-d]pyrimidine is CCCCn1nc(CC(C)C)c2c(N3CCC(F)(F)CC3)ncnc21.
What is the InChIKey of 1-butyl-4-(4,4-difluoropiperidin-1-yl)-3-(2-methylpropyl)pyrazolo[5,4-d]pyrimidine?
The InChIKey is ZIYQWYPSDMIESE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27F2N5/c1-4-5-8-25-17-15(14(23-25)11-13(2)3)16(21-12-22-17)24-9-6-18(19,20)7-10-24/h12-13H,4-11H2,1-3H3.
What are the key properties of 1-butyl-4-(4,4-difluoropiperidin-1-yl)-3-(2-methylpropyl)pyrazolo[5,4-d]pyrimidine?
1-butyl-4-(4,4-difluoropiperidin-1-yl)-3-(2-methylpropyl)pyrazolo[5,4-d]pyrimidine has a molecular weight of 351.45 g/mol, XLogP of 4.06, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-(4,4-difluoropiperidin-1-yl)-3-(2-methylpropyl)pyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 162630465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).