6-chloro-1-[[(2S,5S)-5-methylpyrrolidin-2-yl]methyl]pyrazolo[3,4-d]pyrimidine

C11H14ClN5 — CID 165171615

IUPAC6-chloro-1-[[(2S,5S)-5-methylpyrrolidin-2-yl]methyl]pyrazolo[3,4-d]pyrimidine
SMILESC[C@H]1CC[C@@H](Cn2ncc3cnc(Cl)nc32)N1
InChIInChI=1S/C11H14ClN5/c1-7-2-3-9(15-7)6-17-10-8(5-14-17)4-13-11(12)16-10/h4-5,7,9,15H,2-3,6H2,1H3/t7-,9-/m0/s1
InChIKeyIVDUZBVBROZORB-CBAPKCEASA-N
MW251.72 g/mol
LogP1.62
Rot. Bonds2

About 6-chloro-1-[[(2S,5S)-5-methylpyrrolidin-2-yl]methyl]pyrazolo[3,4-d]pyrimidine

6-chloro-1-[[(2S,5S)-5-methylpyrrolidin-2-yl]methyl]pyrazolo[3,4-d]pyrimidine (PubChem CID 165171615) has the molecular formula C11H14ClN5 and a molecular weight of 251.72 g/mol. Its IUPAC name is 6-chloro-1-[[(2S,5S)-5-methylpyrrolidin-2-yl]methyl]pyrazolo[3,4-d]pyrimidine.

Molecular Properties

Compound Name6-chloro-1-[[(2S,5S)-5-methylpyrrolidin-2-yl]methyl]pyrazolo[3,4-d]pyrimidine
PubChem CID165171615
Molecular FormulaC11H14ClN5
Molecular Weight251.72 g/mol
Exact Mass251.09
IUPAC Name6-chloro-1-[[(2S,5S)-5-methylpyrrolidin-2-yl]methyl]pyrazolo[3,4-d]pyrimidine
SMILESC[C@H]1CC[C@@H](Cn2ncc3cnc(Cl)nc32)N1
InChIInChI=1S/C11H14ClN5/c1-7-2-3-9(15-7)6-17-10-8(5-14-17)4-13-11(12)16-10/h4-5,7,9,15H,2-3,6H2,1H3/t7-,9-/m0/s1
InChIKeyIVDUZBVBROZORB-CBAPKCEASA-N
XLogP1.62
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.72
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-[[(2S,5S)-5-methylpyrrolidin-2-yl]methyl]pyrazolo[3,4-d]pyrimidine?
The IUPAC name of 6-chloro-1-[[(2S,5S)-5-methylpyrrolidin-2-yl]methyl]pyrazolo[3,4-d]pyrimidine (CID 165171615) is 6-chloro-1-[[(2S,5S)-5-methylpyrrolidin-2-yl]methyl]pyrazolo[3,4-d]pyrimidine.
What is the SMILES notation for 6-chloro-1-[[(2S,5S)-5-methylpyrrolidin-2-yl]methyl]pyrazolo[3,4-d]pyrimidine?
The canonical SMILES for 6-chloro-1-[[(2S,5S)-5-methylpyrrolidin-2-yl]methyl]pyrazolo[3,4-d]pyrimidine is C[C@H]1CC[C@@H](Cn2ncc3cnc(Cl)nc32)N1.
What is the InChIKey of 6-chloro-1-[[(2S,5S)-5-methylpyrrolidin-2-yl]methyl]pyrazolo[3,4-d]pyrimidine?
The InChIKey is IVDUZBVBROZORB-CBAPKCEASA-N. The full InChI is InChI=1S/C11H14ClN5/c1-7-2-3-9(15-7)6-17-10-8(5-14-17)4-13-11(12)16-10/h4-5,7,9,15H,2-3,6H2,1H3/t7-,9-/m0/s1.
What are the key properties of 6-chloro-1-[[(2S,5S)-5-methylpyrrolidin-2-yl]methyl]pyrazolo[3,4-d]pyrimidine?
6-chloro-1-[[(2S,5S)-5-methylpyrrolidin-2-yl]methyl]pyrazolo[3,4-d]pyrimidine has a molecular weight of 251.72 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-[[(2S,5S)-5-methylpyrrolidin-2-yl]methyl]pyrazolo[3,4-d]pyrimidine is sourced from PubChem (CID 165171615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).