6-(6-azaspiro[2.5]octan-6-yl)-3-chloro-2H-pyrazolo[3,4-b]pyrazine

C12H14ClN5 — CID 178072701

IUPAC6-(6-azaspiro[2.5]octan-6-yl)-3-chloro-2H-pyrazolo[3,4-b]pyrazine
SMILESClc1[nH]nc2nc(N3CCC4(CC3)CC4)cnc12
InChIInChI=1S/C12H14ClN5/c13-10-9-11(17-16-10)15-8(7-14-9)18-5-3-12(1-2-12)4-6-18/h7H,1-6H2,(H,15,16,17)
InChIKeyIMJODUNYDZAJAA-UHFFFAOYSA-N
MW263.73 g/mol
LogP2.39
Rot. Bonds1

About 6-(6-azaspiro[2.5]octan-6-yl)-3-chloro-2H-pyrazolo[3,4-b]pyrazine

6-(6-azaspiro[2.5]octan-6-yl)-3-chloro-2H-pyrazolo[3,4-b]pyrazine (PubChem CID 178072701) has the molecular formula C12H14ClN5 and a molecular weight of 263.73 g/mol. Its IUPAC name is 6-(6-azaspiro[2.5]octan-6-yl)-3-chloro-2H-pyrazolo[3,4-b]pyrazine.

Molecular Properties

Compound Name6-(6-azaspiro[2.5]octan-6-yl)-3-chloro-2H-pyrazolo[3,4-b]pyrazine
PubChem CID178072701
Molecular FormulaC12H14ClN5
Molecular Weight263.73 g/mol
Exact Mass263.09
IUPAC Name6-(6-azaspiro[2.5]octan-6-yl)-3-chloro-2H-pyrazolo[3,4-b]pyrazine
SMILESClc1[nH]nc2nc(N3CCC4(CC3)CC4)cnc12
InChIInChI=1S/C12H14ClN5/c13-10-9-11(17-16-10)15-8(7-14-9)18-5-3-12(1-2-12)4-6-18/h7H,1-6H2,(H,15,16,17)
InChIKeyIMJODUNYDZAJAA-UHFFFAOYSA-N
XLogP2.39
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.73
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

8-[3-(2-chloro-3-methylphenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-3,3-difluoro-8-azaspiro[4.5]decane
CID 163448968
8-[3-(2-chloro-3-methylphenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-2-oxa-8-azaspiro[4.5]decane
CID 166992568
1-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-(hydroxymethyl)piperidin-4-ol
CID 155766778
1-[3-(5-chloro-2-fluorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine
CID 134379003
(3R)-7-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-7-azaspiro[3.5]nonan-3-amine
CID 134368037
4-[6-[4-(aminomethyl)-4-nitrosopiperidin-1-yl]-2H-pyrazolo[3,4-b]pyrazin-3-yl]-5-chloropyridin-2-amine
CID 166992701
1-[1-[3-(3-chloro-4-pyridinyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-yl]-N-methylmethanamine
CID 166992676
3-[4-(difluoromethyl)phenyl]-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine
CID 157469658
1-[1-[3-(2-chloro-3-pyridinyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-yl]-N-methylmethanamine
CID 166992559
[4-amino-1-[3-(3-chloropyridazin-4-yl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-yl]methanol;2,2,2-trifluoroacetic acid
CID 139451023
4-N-[6-[4-(aminomethyl)-4-methylpiperidin-1-yl]-2H-pyrazolo[3,4-b]pyrazin-3-yl]-3-chloropyridine-2,4-diamine;dihydrochloride
CID 142484329
8-[3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-8-azaspiro[4.5]decan-4-amine;ethane
CID 145413066

Frequently Asked Questions

What is the IUPAC name of 6-(6-azaspiro[2.5]octan-6-yl)-3-chloro-2H-pyrazolo[3,4-b]pyrazine?
The IUPAC name of 6-(6-azaspiro[2.5]octan-6-yl)-3-chloro-2H-pyrazolo[3,4-b]pyrazine (CID 178072701) is 6-(6-azaspiro[2.5]octan-6-yl)-3-chloro-2H-pyrazolo[3,4-b]pyrazine.
What is the SMILES notation for 6-(6-azaspiro[2.5]octan-6-yl)-3-chloro-2H-pyrazolo[3,4-b]pyrazine?
The canonical SMILES for 6-(6-azaspiro[2.5]octan-6-yl)-3-chloro-2H-pyrazolo[3,4-b]pyrazine is Clc1[nH]nc2nc(N3CCC4(CC3)CC4)cnc12.
What is the InChIKey of 6-(6-azaspiro[2.5]octan-6-yl)-3-chloro-2H-pyrazolo[3,4-b]pyrazine?
The InChIKey is IMJODUNYDZAJAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN5/c13-10-9-11(17-16-10)15-8(7-14-9)18-5-3-12(1-2-12)4-6-18/h7H,1-6H2,(H,15,16,17).
What are the key properties of 6-(6-azaspiro[2.5]octan-6-yl)-3-chloro-2H-pyrazolo[3,4-b]pyrazine?
6-(6-azaspiro[2.5]octan-6-yl)-3-chloro-2H-pyrazolo[3,4-b]pyrazine has a molecular weight of 263.73 g/mol, XLogP of 2.39, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-azaspiro[2.5]octan-6-yl)-3-chloro-2H-pyrazolo[3,4-b]pyrazine is sourced from PubChem (CID 178072701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).