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

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

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Related Compounds

6-chloro-1-[(4-methylcyclohexyl)methyl]pyrazolo[3,4-d]pyrimidine
CID 58056409
6-chloro-1-(cyclohexylmethyl)pyrazolo[3,4-d]pyrimidine
CID 172599841
6-chloro-1-ethylpyrazolo[3,4-d]pyrimidine
CID 58056412
[(1R,2R)-2-[(6-chloropyrazolo[3,4-d]pyrimidin-1-yl)methyl]cyclopentyl]methanol
CID 165171963
1-[(2S,5S)-2-[(6-chloropyrazolo[3,4-d]pyrimidin-1-yl)methyl]-5-methylpyrrolidin-1-yl]ethanone
CID 165171954
3-[(6-chloropyrazolo[3,4-d]pyrimidin-1-yl)methyl]piperidin-2-one
CID 165171617
1-[(2S)-2-[(6-chloropyrazolo[3,4-d]pyrimidin-1-yl)methyl]piperidin-1-yl]ethanone
CID 165171628
6-chloro-1-(2-methylsulfonylethyl)pyrazolo[3,4-d]pyrimidine
CID 165171856
1-[(2S,3R,4S)-2-[(6-chloropyrazolo[3,4-d]pyrimidin-1-yl)methyl]-4-fluoro-3-methylpyrrolidin-1-yl]ethanone
CID 165171984
tert-butyl-[4-[(6-chloropyrazolo[3,4-d]pyrimidin-1-yl)methyl]cyclohexyl]carbamic acid
CID 87094208
6-chloro-1-cyclopropylpyrazolo[3,4-d]pyrimidine
CID 134607575
2-[(6-chloropyrazolo[3,4-d]pyrimidin-1-yl)methoxy]ethyl-trimethylsilane
CID 140879638

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).