1-[1-butyl-3-(2-methylpropyl)pyrazolo[5,4-d]pyrimidin-4-yl]azetidin-3-ol

C16H25N5O — CID 162630698

IUPAC1-[1-butyl-3-(2-methylpropyl)pyrazolo[5,4-d]pyrimidin-4-yl]azetidin-3-ol
SMILESCCCCn1nc(CC(C)C)c2c(N3CC(O)C3)ncnc21
InChIInChI=1S/C16H25N5O/c1-4-5-6-21-16-14(13(19-21)7-11(2)3)15(17-10-18-16)20-8-12(22)9-20/h10-12,22H,4-9H2,1-3H3
InChIKeyCXFBSVZGXLEBOH-UHFFFAOYSA-N
MW303.41 g/mol
LogP2.01
Rot. Bonds6

About 1-[1-butyl-3-(2-methylpropyl)pyrazolo[5,4-d]pyrimidin-4-yl]azetidin-3-ol

1-[1-butyl-3-(2-methylpropyl)pyrazolo[5,4-d]pyrimidin-4-yl]azetidin-3-ol (PubChem CID 162630698) has the molecular formula C16H25N5O and a molecular weight of 303.41 g/mol. Its IUPAC name is 1-[1-butyl-3-(2-methylpropyl)pyrazolo[5,4-d]pyrimidin-4-yl]azetidin-3-ol.

Molecular Properties

Compound Name1-[1-butyl-3-(2-methylpropyl)pyrazolo[5,4-d]pyrimidin-4-yl]azetidin-3-ol
PubChem CID162630698
Molecular FormulaC16H25N5O
Molecular Weight303.41 g/mol
Exact Mass303.21
IUPAC Name1-[1-butyl-3-(2-methylpropyl)pyrazolo[5,4-d]pyrimidin-4-yl]azetidin-3-ol
SMILESCCCCn1nc(CC(C)C)c2c(N3CC(O)C3)ncnc21
InChIInChI=1S/C16H25N5O/c1-4-5-6-21-16-14(13(19-21)7-11(2)3)15(17-10-18-16)20-8-12(22)9-20/h10-12,22H,4-9H2,1-3H3
InChIKeyCXFBSVZGXLEBOH-UHFFFAOYSA-N
XLogP2.01
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(7-Methyl-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-3-yl)propan-2-ol
CID 12666106
1-[(1,3-Dimethylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-3-piperidin-1-ylpropan-2-ol
CID 70710071
1-(1-azepanyl)-3-[(1,3,6-trimethyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino]-2-propanol
CID 70765533
3-Ethyl-4-(3-fluoroazetidin-1-yl)-1-methylpyrazolo[5,4-d]pyrimidine
CID 123427326
rel-(3R,4R)-1-(1-butyl-3-isobutyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-4-fluoro-3-pyrrolidinol
CID 157018148
1-butyl-4-(4,4-difluoro-1-piperidinyl)-3-isobutyl-1H-pyrazolo[3,4-d]pyrimidine
CID 162630465
1-butyl-4-(3-fluoro-1-azetidinyl)-3-isobutyl-1H-pyrazolo[3,4-d]pyrimidine
CID 162633264
3-(4-Amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)propan-1-ol
CID 58269140
1,3,4-Triethylpyrazolo[3,4-d]pyrimidine
CID 66693343
2-(4-Amino-3-methylpyrazolo[3,4-d]pyrimidin-1-yl)ethanol
CID 68080389
1,3-Di(propan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 69939307
1-Ethyl-3-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 69939616

Frequently Asked Questions

What is the IUPAC name of 1-[1-butyl-3-(2-methylpropyl)pyrazolo[5,4-d]pyrimidin-4-yl]azetidin-3-ol?
The IUPAC name of 1-[1-butyl-3-(2-methylpropyl)pyrazolo[5,4-d]pyrimidin-4-yl]azetidin-3-ol (CID 162630698) is 1-[1-butyl-3-(2-methylpropyl)pyrazolo[5,4-d]pyrimidin-4-yl]azetidin-3-ol.
What is the SMILES notation for 1-[1-butyl-3-(2-methylpropyl)pyrazolo[5,4-d]pyrimidin-4-yl]azetidin-3-ol?
The canonical SMILES for 1-[1-butyl-3-(2-methylpropyl)pyrazolo[5,4-d]pyrimidin-4-yl]azetidin-3-ol is CCCCn1nc(CC(C)C)c2c(N3CC(O)C3)ncnc21.
What is the InChIKey of 1-[1-butyl-3-(2-methylpropyl)pyrazolo[5,4-d]pyrimidin-4-yl]azetidin-3-ol?
The InChIKey is CXFBSVZGXLEBOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O/c1-4-5-6-21-16-14(13(19-21)7-11(2)3)15(17-10-18-16)20-8-12(22)9-20/h10-12,22H,4-9H2,1-3H3.
What are the key properties of 1-[1-butyl-3-(2-methylpropyl)pyrazolo[5,4-d]pyrimidin-4-yl]azetidin-3-ol?
1-[1-butyl-3-(2-methylpropyl)pyrazolo[5,4-d]pyrimidin-4-yl]azetidin-3-ol has a molecular weight of 303.41 g/mol, XLogP of 2.01, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-butyl-3-(2-methylpropyl)pyrazolo[5,4-d]pyrimidin-4-yl]azetidin-3-ol is sourced from PubChem (CID 162630698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).