6-chloro-1-[[(2R)-oxolan-2-yl]methyl]pyrazolo[3,4-b]pyrazine

C10H11ClN4O — CID 168751993

IUPAC6-chloro-1-[[(2R)-oxolan-2-yl]methyl]pyrazolo[3,4-b]pyrazine
SMILESClc1cnc2cnn(C[C@H]3CCCO3)c2n1
InChIInChI=1S/C10H11ClN4O/c11-9-5-12-8-4-13-15(10(8)14-9)6-7-2-1-3-16-7/h4-5,7H,1-3,6H2/t7-/m1/s1
InChIKeyLERKAXUNELMTFV-SSDOTTSWSA-N
MW238.68 g/mol
LogP1.66
Rot. Bonds2

About 6-chloro-1-[[(2R)-oxolan-2-yl]methyl]pyrazolo[3,4-b]pyrazine

6-chloro-1-[[(2R)-oxolan-2-yl]methyl]pyrazolo[3,4-b]pyrazine (PubChem CID 168751993) has the molecular formula C10H11ClN4O and a molecular weight of 238.68 g/mol. Its IUPAC name is 6-chloro-1-[[(2R)-oxolan-2-yl]methyl]pyrazolo[3,4-b]pyrazine.

Molecular Properties

Compound Name6-chloro-1-[[(2R)-oxolan-2-yl]methyl]pyrazolo[3,4-b]pyrazine
PubChem CID168751993
Molecular FormulaC10H11ClN4O
Molecular Weight238.68 g/mol
Exact Mass238.06
IUPAC Name6-chloro-1-[[(2R)-oxolan-2-yl]methyl]pyrazolo[3,4-b]pyrazine
SMILESClc1cnc2cnn(C[C@H]3CCCO3)c2n1
InChIInChI=1S/C10H11ClN4O/c11-9-5-12-8-4-13-15(10(8)14-9)6-7-2-1-3-16-7/h4-5,7H,1-3,6H2/t7-/m1/s1
InChIKeyLERKAXUNELMTFV-SSDOTTSWSA-N
XLogP1.66
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.68
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(oxolan-2-ylmethyl)pyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 175908437
5-bromo-1-(oxolan-2-ylmethyl)pyrazol-4-ol
CID 117232249
2-chloro-7-(oxolan-2-ylmethyl)pyrrolo[2,3-d]pyrimidine
CID 166090821
5-methyl-1-[[(2R)-oxolan-2-yl]methyl]pyrazol-3-amine
CID 165471860
1-[[(2R)-oxolan-2-yl]methyl]-6-[3-(trifluoromethyl)phenyl]pyrazolo[4,5-b]pyridine
CID 175730577
2-methoxy-8-[[(2R)-oxolan-2-yl]methyl]pteridin-7-one
CID 3233097
5-(cyclobutylamino)-2-(oxolan-2-ylmethyl)pyridazin-3-one
CID 103220570
2-chloro-1-[[(2S)-oxolan-2-yl]methyl]imidazole
CID 87111262
2-morpholin-4-yl-8-[[(2R)-oxolan-2-yl]methyl]pteridin-7-one
CID 3233717
N,N-dimethyl-2-(oxolan-2-ylmethyl)pyrazol-3-amine
CID 142163207
5-(chloromethyl)-2-methylsulfonyl-1-[[(2S)-oxolan-2-yl]methyl]imidazole
CID 94133723
2-(chloromethyl)-7-methyl-3-(oxolan-2-ylmethyl)imidazo[4,5-b]pyridine
CID 79293199

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-[[(2R)-oxolan-2-yl]methyl]pyrazolo[3,4-b]pyrazine?
The IUPAC name of 6-chloro-1-[[(2R)-oxolan-2-yl]methyl]pyrazolo[3,4-b]pyrazine (CID 168751993) is 6-chloro-1-[[(2R)-oxolan-2-yl]methyl]pyrazolo[3,4-b]pyrazine.
What is the SMILES notation for 6-chloro-1-[[(2R)-oxolan-2-yl]methyl]pyrazolo[3,4-b]pyrazine?
The canonical SMILES for 6-chloro-1-[[(2R)-oxolan-2-yl]methyl]pyrazolo[3,4-b]pyrazine is Clc1cnc2cnn(C[C@H]3CCCO3)c2n1.
What is the InChIKey of 6-chloro-1-[[(2R)-oxolan-2-yl]methyl]pyrazolo[3,4-b]pyrazine?
The InChIKey is LERKAXUNELMTFV-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H11ClN4O/c11-9-5-12-8-4-13-15(10(8)14-9)6-7-2-1-3-16-7/h4-5,7H,1-3,6H2/t7-/m1/s1.
What are the key properties of 6-chloro-1-[[(2R)-oxolan-2-yl]methyl]pyrazolo[3,4-b]pyrazine?
6-chloro-1-[[(2R)-oxolan-2-yl]methyl]pyrazolo[3,4-b]pyrazine has a molecular weight of 238.68 g/mol, XLogP of 1.66, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-[[(2R)-oxolan-2-yl]methyl]pyrazolo[3,4-b]pyrazine is sourced from PubChem (CID 168751993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).