1-[6-tert-butyl-1-[1-(2H-tetrazol-5-yl)ethyl]pyrazolo[5,4-d]pyrimidin-4-yl]pyrrolidin-3-ol

C16H23N9O — CID 118599322

IUPAC1-[6-tert-butyl-1-[1-(2H-tetrazol-5-yl)ethyl]pyrazolo[5,4-d]pyrimidin-4-yl]pyrrolidin-3-ol
SMILESCC(c1nn[nH]n1)n1ncc2c(N3CCC(O)C3)nc(C(C)(C)C)nc21
InChIInChI=1S/C16H23N9O/c1-9(12-20-22-23-21-12)25-14-11(7-17-25)13(24-6-5-10(26)8-24)18-15(19-14)16(2,3)4/h7,9-10,26H,5-6,8H2,1-4H3,(H,20,21,22,23)
InChIKeyZBMCCOKPNGSNGH-UHFFFAOYSA-N
MW357.42 g/mol
LogP0.82
Rot. Bonds3

About 1-[6-tert-butyl-1-[1-(2H-tetrazol-5-yl)ethyl]pyrazolo[5,4-d]pyrimidin-4-yl]pyrrolidin-3-ol

1-[6-tert-butyl-1-[1-(2H-tetrazol-5-yl)ethyl]pyrazolo[5,4-d]pyrimidin-4-yl]pyrrolidin-3-ol (PubChem CID 118599322) has the molecular formula C16H23N9O and a molecular weight of 357.42 g/mol. Its IUPAC name is 1-[6-tert-butyl-1-[1-(2H-tetrazol-5-yl)ethyl]pyrazolo[5,4-d]pyrimidin-4-yl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[6-tert-butyl-1-[1-(2H-tetrazol-5-yl)ethyl]pyrazolo[5,4-d]pyrimidin-4-yl]pyrrolidin-3-ol
PubChem CID118599322
Molecular FormulaC16H23N9O
Molecular Weight357.42 g/mol
Exact Mass357.20
IUPAC Name1-[6-tert-butyl-1-[1-(2H-tetrazol-5-yl)ethyl]pyrazolo[5,4-d]pyrimidin-4-yl]pyrrolidin-3-ol
SMILESCC(c1nn[nH]n1)n1ncc2c(N3CCC(O)C3)nc(C(C)(C)C)nc21
InChIInChI=1S/C16H23N9O/c1-9(12-20-22-23-21-12)25-14-11(7-17-25)13(24-6-5-10(26)8-24)18-15(19-14)16(2,3)4/h7,9-10,26H,5-6,8H2,1-4H3,(H,20,21,22,23)
InChIKeyZBMCCOKPNGSNGH-UHFFFAOYSA-N
XLogP0.82
TPSA121.53 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.42
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

(3S)-1-[6-tert-butyl-1-[(2-chlorophenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-yl]pyrrolidin-3-ol
CID 85469533
1-(2-tert-butyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-ol
CID 129170820
(3S)-1-[2-tert-butyl-9-[(5-methyltetrazol-5-yl)methyl]purin-6-yl]pyrrolidin-3-ol
CID 134518362
(3S)-1-[2-tert-butyl-7-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyrrolo[2,3-d]pyrimidin-4-yl]pyrrolidin-3-ol
CID 86305337
(3S)-1-[5-tert-butyl-3-[(2-chloro-3-pyridinyl)methyl]triazolo[4,5-d]pyrimidin-7-yl]pyrrolidin-3-ol
CID 86295836
1-[2-tert-butyl-9-[(2-chloro-3-pyridinyl)methyl]purin-6-yl]pyrrolidin-3-ol
CID 86763489
(3S)-1-[5-(2,2-dimethylpropyl)-3H-pyrazolo[4,3-d]pyrimidin-7-yl]pyrrolidin-3-ol
CID 161127599
6-tert-butyl-1-phenyl-4-piperazin-1-ylpyrazolo[5,4-d]pyrimidine
CID 42805374
1-[2-tert-butyl-6-(propylamino)pyrimidin-4-yl]pyrrolidin-3-ol
CID 80957698
1-(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)-4-methylpiperidin-3-ol
CID 102963130
1-(6-methyl-1H-pyrazolo[4,3-c]pyridin-3-yl)pyrrolidin-3-ol
CID 170577660
(3R)-1-[4-(4-quinolin-2-ylpyrazol-1-yl)phthalazin-1-yl]pyrrolidin-3-ol
CID 110173055

Frequently Asked Questions

What is the IUPAC name of 1-[6-tert-butyl-1-[1-(2H-tetrazol-5-yl)ethyl]pyrazolo[5,4-d]pyrimidin-4-yl]pyrrolidin-3-ol?
The IUPAC name of 1-[6-tert-butyl-1-[1-(2H-tetrazol-5-yl)ethyl]pyrazolo[5,4-d]pyrimidin-4-yl]pyrrolidin-3-ol (CID 118599322) is 1-[6-tert-butyl-1-[1-(2H-tetrazol-5-yl)ethyl]pyrazolo[5,4-d]pyrimidin-4-yl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[6-tert-butyl-1-[1-(2H-tetrazol-5-yl)ethyl]pyrazolo[5,4-d]pyrimidin-4-yl]pyrrolidin-3-ol?
The canonical SMILES for 1-[6-tert-butyl-1-[1-(2H-tetrazol-5-yl)ethyl]pyrazolo[5,4-d]pyrimidin-4-yl]pyrrolidin-3-ol is CC(c1nn[nH]n1)n1ncc2c(N3CCC(O)C3)nc(C(C)(C)C)nc21.
What is the InChIKey of 1-[6-tert-butyl-1-[1-(2H-tetrazol-5-yl)ethyl]pyrazolo[5,4-d]pyrimidin-4-yl]pyrrolidin-3-ol?
The InChIKey is ZBMCCOKPNGSNGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N9O/c1-9(12-20-22-23-21-12)25-14-11(7-17-25)13(24-6-5-10(26)8-24)18-15(19-14)16(2,3)4/h7,9-10,26H,5-6,8H2,1-4H3,(H,20,21,22,23).
What are the key properties of 1-[6-tert-butyl-1-[1-(2H-tetrazol-5-yl)ethyl]pyrazolo[5,4-d]pyrimidin-4-yl]pyrrolidin-3-ol?
1-[6-tert-butyl-1-[1-(2H-tetrazol-5-yl)ethyl]pyrazolo[5,4-d]pyrimidin-4-yl]pyrrolidin-3-ol has a molecular weight of 357.42 g/mol, XLogP of 0.82, 3 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-tert-butyl-1-[1-(2H-tetrazol-5-yl)ethyl]pyrazolo[5,4-d]pyrimidin-4-yl]pyrrolidin-3-ol is sourced from PubChem (CID 118599322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).