(3S)-1-[2-tert-butyl-9-[(5-methyltetrazol-5-yl)methyl]purin-6-yl]pyrrolidin-3-ol

C16H23N9O — CID 134518362

IUPAC(3S)-1-[2-tert-butyl-9-[(5-methyltetrazol-5-yl)methyl]purin-6-yl]pyrrolidin-3-ol
SMILESCC1(Cn2cnc3c(N4CC[C@H](O)C4)nc(C(C)(C)C)nc32)N=NN=N1
InChIInChI=1S/C16H23N9O/c1-15(2,3)14-18-12(24-6-5-10(26)7-24)11-13(19-14)25(9-17-11)8-16(4)20-22-23-21-16/h9-10,26H,5-8H2,1-4H3/t10-/m0/s1
InChIKeyWTQXYHLISKMTTA-JTQLQIEISA-N
MW357.42 g/mol
LogP2.24
Rot. Bonds3

About (3S)-1-[2-tert-butyl-9-[(5-methyltetrazol-5-yl)methyl]purin-6-yl]pyrrolidin-3-ol

(3S)-1-[2-tert-butyl-9-[(5-methyltetrazol-5-yl)methyl]purin-6-yl]pyrrolidin-3-ol (PubChem CID 134518362) has the molecular formula C16H23N9O and a molecular weight of 357.42 g/mol. Its IUPAC name is (3S)-1-[2-tert-butyl-9-[(5-methyltetrazol-5-yl)methyl]purin-6-yl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3S)-1-[2-tert-butyl-9-[(5-methyltetrazol-5-yl)methyl]purin-6-yl]pyrrolidin-3-ol
PubChem CID134518362
Molecular FormulaC16H23N9O
Molecular Weight357.42 g/mol
Exact Mass357.20
IUPAC Name(3S)-1-[2-tert-butyl-9-[(5-methyltetrazol-5-yl)methyl]purin-6-yl]pyrrolidin-3-ol
SMILESCC1(Cn2cnc3c(N4CC[C@H](O)C4)nc(C(C)(C)C)nc32)N=NN=N1
InChIInChI=1S/C16H23N9O/c1-15(2,3)14-18-12(24-6-5-10(26)7-24)11-13(19-14)25(9-17-11)8-16(4)20-22-23-21-16/h9-10,26H,5-8H2,1-4H3/t10-/m0/s1
InChIKeyWTQXYHLISKMTTA-JTQLQIEISA-N
XLogP2.24
TPSA116.51 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.42
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze (3S)-1-[2-tert-butyl-9-[(5-methyltetrazol-5-yl)methyl]purin-6-yl]pyrrolidin-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-tert-butyl-9-[(2-chloro-3-pyridinyl)methyl]purin-6-yl]pyrrolidin-3-ol
CID 86763489
(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
2-[(3S)-1-[2-tert-butyl-9-[(2-chlorophenyl)methyl]purin-6-yl]pyrrolidin-3-yl]acetamide
CID 140702049
(3S)-1-[5-tert-butyl-3-[(2-chloro-3-pyridinyl)methyl]triazolo[4,5-d]pyrimidin-7-yl]pyrrolidin-3-ol
CID 86295836
2-[(3S)-1-[2-tert-butyl-9-[(3-chloro-2-pyridinyl)methyl]purin-6-yl]pyrrolidin-3-yl]acetamide
CID 140702047
(3S)-1-[6-tert-butyl-1-[(2-chlorophenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-yl]pyrrolidin-3-ol
CID 85469533
1-(2-chloro-9-ethylpurin-6-yl)piperidin-4-ol
CID 168921173
1-(2-tert-butyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-ol
CID 129170820
2-tert-butyl-6-(3,3-difluoropyrrolidin-1-yl)-9-[(4-methylphenyl)methyl]purine
CID 86764913
1-[6-tert-butyl-1-[1-(2H-tetrazol-5-yl)ethyl]pyrazolo[5,4-d]pyrimidin-4-yl]pyrrolidin-3-ol
CID 118599322
2-[2-tert-butyl-6-(3,3-difluoropyrrolidin-1-yl)purin-9-yl]-1-pyridin-2-ylethanone
CID 86763372
7-[2-tert-butyl-9-(2-methoxyethyl)purin-6-yl]-2-oxa-7-azaspiro[3.4]octane
CID 86764044

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[2-tert-butyl-9-[(5-methyltetrazol-5-yl)methyl]purin-6-yl]pyrrolidin-3-ol?
The IUPAC name of (3S)-1-[2-tert-butyl-9-[(5-methyltetrazol-5-yl)methyl]purin-6-yl]pyrrolidin-3-ol (CID 134518362) is (3S)-1-[2-tert-butyl-9-[(5-methyltetrazol-5-yl)methyl]purin-6-yl]pyrrolidin-3-ol.
What is the SMILES notation for (3S)-1-[2-tert-butyl-9-[(5-methyltetrazol-5-yl)methyl]purin-6-yl]pyrrolidin-3-ol?
The canonical SMILES for (3S)-1-[2-tert-butyl-9-[(5-methyltetrazol-5-yl)methyl]purin-6-yl]pyrrolidin-3-ol is CC1(Cn2cnc3c(N4CC[C@H](O)C4)nc(C(C)(C)C)nc32)N=NN=N1.
What is the InChIKey of (3S)-1-[2-tert-butyl-9-[(5-methyltetrazol-5-yl)methyl]purin-6-yl]pyrrolidin-3-ol?
The InChIKey is WTQXYHLISKMTTA-JTQLQIEISA-N. The full InChI is InChI=1S/C16H23N9O/c1-15(2,3)14-18-12(24-6-5-10(26)7-24)11-13(19-14)25(9-17-11)8-16(4)20-22-23-21-16/h9-10,26H,5-8H2,1-4H3/t10-/m0/s1.
What are the key properties of (3S)-1-[2-tert-butyl-9-[(5-methyltetrazol-5-yl)methyl]purin-6-yl]pyrrolidin-3-ol?
(3S)-1-[2-tert-butyl-9-[(5-methyltetrazol-5-yl)methyl]purin-6-yl]pyrrolidin-3-ol has a molecular weight of 357.42 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[2-tert-butyl-9-[(5-methyltetrazol-5-yl)methyl]purin-6-yl]pyrrolidin-3-ol is sourced from PubChem (CID 134518362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).