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

C19H31N5O2 — CID 164696494

IUPAC(3R,4R)-1-[1-butyl-3-(2-methylpropyl)pyrazolo[5,4-d]pyrimidin-4-yl]-4-(hydroxymethyl)piperidin-3-ol
SMILESCCCCn1nc(CC(C)C)c2c(N3CC[C@H](CO)[C@@H](O)C3)ncnc21
InChIInChI=1S/C19H31N5O2/c1-4-5-7-24-19-17(15(22-24)9-13(2)3)18(20-12-21-19)23-8-6-14(11-25)16(26)10-23/h12-14,16,25-26H,4-11H2,1-3H3/t14-,16+/m1/s1
InChIKeyUXOSOZDFKFKJOH-ZBFHGGJFSA-N
MW361.49 g/mol
LogP2.00
Rot. Bonds7

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

(3R,4R)-1-[1-butyl-3-(2-methylpropyl)pyrazolo[5,4-d]pyrimidin-4-yl]-4-(hydroxymethyl)piperidin-3-ol (PubChem CID 164696494) has the molecular formula C19H31N5O2 and a molecular weight of 361.49 g/mol. Its IUPAC name is (3R,4R)-1-[1-butyl-3-(2-methylpropyl)pyrazolo[5,4-d]pyrimidin-4-yl]-4-(hydroxymethyl)piperidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-1-[1-butyl-3-(2-methylpropyl)pyrazolo[5,4-d]pyrimidin-4-yl]-4-(hydroxymethyl)piperidin-3-ol
PubChem CID164696494
Molecular FormulaC19H31N5O2
Molecular Weight361.49 g/mol
Exact Mass361.25
IUPAC Name(3R,4R)-1-[1-butyl-3-(2-methylpropyl)pyrazolo[5,4-d]pyrimidin-4-yl]-4-(hydroxymethyl)piperidin-3-ol
SMILESCCCCn1nc(CC(C)C)c2c(N3CC[C@H](CO)[C@@H](O)C3)ncnc21
InChIInChI=1S/C19H31N5O2/c1-4-5-7-24-19-17(15(22-24)9-13(2)3)18(20-12-21-19)23-8-6-14(11-25)16(26)10-23/h12-14,16,25-26H,4-11H2,1-3H3/t14-,16+/m1/s1
InChIKeyUXOSOZDFKFKJOH-ZBFHGGJFSA-N
XLogP2.00
TPSA87.30 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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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
1-butyl-4-(4,4-difluoropiperidin-1-yl)-3-(2-methylpropyl)pyrazolo[5,4-d]pyrimidine
CID 162630465
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
(3R,4R)-4-(hydroxymethyl)-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-3-ol
CID 56898903
2-[[[1-butyl-3-(2-methylpropyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]methyl]-4-methyl-1H-pyrimidin-6-one
CID 157017888
1-butyl-3-(2-methylpropyl)-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 162633743
(2S)-3-[6-(3-propan-2-ylpyrrolidin-1-yl)purin-9-yl]propane-1,2-diol
CID 167819885
3-bromo-1-methyl-4-[4-(3-methylbutyl)piperidin-1-yl]pyrazolo[5,4-d]pyrimidine
CID 133380766
2-[(3R,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-5,6-dimethylpyridine-3-carboxylic acid
CID 134704630

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1-[1-butyl-3-(2-methylpropyl)pyrazolo[5,4-d]pyrimidin-4-yl]-4-(hydroxymethyl)piperidin-3-ol?
The IUPAC name of (3R,4R)-1-[1-butyl-3-(2-methylpropyl)pyrazolo[5,4-d]pyrimidin-4-yl]-4-(hydroxymethyl)piperidin-3-ol (CID 164696494) is (3R,4R)-1-[1-butyl-3-(2-methylpropyl)pyrazolo[5,4-d]pyrimidin-4-yl]-4-(hydroxymethyl)piperidin-3-ol.
What is the SMILES notation for (3R,4R)-1-[1-butyl-3-(2-methylpropyl)pyrazolo[5,4-d]pyrimidin-4-yl]-4-(hydroxymethyl)piperidin-3-ol?
The canonical SMILES for (3R,4R)-1-[1-butyl-3-(2-methylpropyl)pyrazolo[5,4-d]pyrimidin-4-yl]-4-(hydroxymethyl)piperidin-3-ol is CCCCn1nc(CC(C)C)c2c(N3CC[C@H](CO)[C@@H](O)C3)ncnc21.
What is the InChIKey of (3R,4R)-1-[1-butyl-3-(2-methylpropyl)pyrazolo[5,4-d]pyrimidin-4-yl]-4-(hydroxymethyl)piperidin-3-ol?
The InChIKey is UXOSOZDFKFKJOH-ZBFHGGJFSA-N. The full InChI is InChI=1S/C19H31N5O2/c1-4-5-7-24-19-17(15(22-24)9-13(2)3)18(20-12-21-19)23-8-6-14(11-25)16(26)10-23/h12-14,16,25-26H,4-11H2,1-3H3/t14-,16+/m1/s1.
What are the key properties of (3R,4R)-1-[1-butyl-3-(2-methylpropyl)pyrazolo[5,4-d]pyrimidin-4-yl]-4-(hydroxymethyl)piperidin-3-ol?
(3R,4R)-1-[1-butyl-3-(2-methylpropyl)pyrazolo[5,4-d]pyrimidin-4-yl]-4-(hydroxymethyl)piperidin-3-ol has a molecular weight of 361.49 g/mol, XLogP of 2.00, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1-[1-butyl-3-(2-methylpropyl)pyrazolo[5,4-d]pyrimidin-4-yl]-4-(hydroxymethyl)piperidin-3-ol is sourced from PubChem (CID 164696494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).