3-[(3R)-1-[(2,3-dimethoxyphenyl)methyl]piperidin-3-yl]-1-methylpyrazolo[3,4-b]pyrazine

C20H25N5O2 — CID 95855386

IUPAC3-[(3R)-1-[(2,3-dimethoxyphenyl)methyl]piperidin-3-yl]-1-methylpyrazolo[3,4-b]pyrazine
SMILESCOc1cccc(CN2CCC[C@@H](c3nn(C)c4nccnc34)C2)c1OC
InChIInChI=1S/C20H25N5O2/c1-24-20-18(21-9-10-22-20)17(23-24)14-7-5-11-25(12-14)13-15-6-4-8-16(26-2)19(15)27-3/h4,6,8-10,14H,5,7,11-13H2,1-3H3/t14-/m1/s1
InChIKeyXWZWFEIBOUDYAI-CQSZACIVSA-N
MW367.45 g/mol
LogP2.76
Rot. Bonds5

About 3-[(3R)-1-[(2,3-dimethoxyphenyl)methyl]piperidin-3-yl]-1-methylpyrazolo[3,4-b]pyrazine

3-[(3R)-1-[(2,3-dimethoxyphenyl)methyl]piperidin-3-yl]-1-methylpyrazolo[3,4-b]pyrazine (PubChem CID 95855386) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is 3-[(3R)-1-[(2,3-dimethoxyphenyl)methyl]piperidin-3-yl]-1-methylpyrazolo[3,4-b]pyrazine.

Molecular Properties

Compound Name3-[(3R)-1-[(2,3-dimethoxyphenyl)methyl]piperidin-3-yl]-1-methylpyrazolo[3,4-b]pyrazine
PubChem CID95855386
Molecular FormulaC20H25N5O2
Molecular Weight367.45 g/mol
Exact Mass367.20
IUPAC Name3-[(3R)-1-[(2,3-dimethoxyphenyl)methyl]piperidin-3-yl]-1-methylpyrazolo[3,4-b]pyrazine
SMILESCOc1cccc(CN2CCC[C@@H](c3nn(C)c4nccnc34)C2)c1OC
InChIInChI=1S/C20H25N5O2/c1-24-20-18(21-9-10-22-20)17(23-24)14-7-5-11-25(12-14)13-15-6-4-8-16(26-2)19(15)27-3/h4,6,8-10,14H,5,7,11-13H2,1-3H3/t14-/m1/s1
InChIKeyXWZWFEIBOUDYAI-CQSZACIVSA-N
XLogP2.76
TPSA65.30 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-[(3R)-1-[(2,3-dimethoxyphenyl)methyl]piperidin-3-yl]-1-methylpyrazolo[3,4-b]pyrazine with MolForge

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Related Compounds

(2,3-dimethoxyphenyl)-[3-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]methanone
CID 110236539
3-[1-[(4-methoxy-3-propan-2-yloxyphenyl)methyl]piperidin-3-yl]-1-methylpyrazolo[3,4-b]pyrazine
CID 110234058
4-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-3-yl]-2-(2-pyrrolidin-1-ylethylsulfanyl)pyrimidine
CID 45227427
1-methyl-3-[1-(thiophen-2-ylmethyl)piperidin-3-yl]pyrazolo[3,4-b]pyrazine;hydrochloride
CID 118741951
(2-methoxyphenyl)-[(3R)-3-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]methanone
CID 51587835
1-methyl-3-[1-(2-phenylethyl)piperidin-3-yl]pyrazolo[3,4-b]pyrazine
CID 110234032
1-methyl-3-[(3S)-1-(2-phenylethyl)piperidin-3-yl]pyrazolo[3,4-b]pyrazine
CID 95853481
1-methyl-3-[1-(thiophen-3-ylmethyl)piperidin-3-yl]pyrazolo[3,4-b]pyrazine
CID 110234045
8-[[4-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]methyl]quinoline
CID 92566378
2-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-3-yl]-4-methyl-1H-pyrimidin-6-one
CID 136707369
(3S)-1-[(2-methoxyphenyl)methyl]-3-(1-methylimidazol-2-yl)piperidine
CID 96573404
3-[(3R)-1-[(2-chlorophenyl)methyl]piperidin-3-yl]-1-methylpyrazolo[3,4-b]pyridine
CID 92566401

Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-1-[(2,3-dimethoxyphenyl)methyl]piperidin-3-yl]-1-methylpyrazolo[3,4-b]pyrazine?
The IUPAC name of 3-[(3R)-1-[(2,3-dimethoxyphenyl)methyl]piperidin-3-yl]-1-methylpyrazolo[3,4-b]pyrazine (CID 95855386) is 3-[(3R)-1-[(2,3-dimethoxyphenyl)methyl]piperidin-3-yl]-1-methylpyrazolo[3,4-b]pyrazine.
What is the SMILES notation for 3-[(3R)-1-[(2,3-dimethoxyphenyl)methyl]piperidin-3-yl]-1-methylpyrazolo[3,4-b]pyrazine?
The canonical SMILES for 3-[(3R)-1-[(2,3-dimethoxyphenyl)methyl]piperidin-3-yl]-1-methylpyrazolo[3,4-b]pyrazine is COc1cccc(CN2CCC[C@@H](c3nn(C)c4nccnc34)C2)c1OC.
What is the InChIKey of 3-[(3R)-1-[(2,3-dimethoxyphenyl)methyl]piperidin-3-yl]-1-methylpyrazolo[3,4-b]pyrazine?
The InChIKey is XWZWFEIBOUDYAI-CQSZACIVSA-N. The full InChI is InChI=1S/C20H25N5O2/c1-24-20-18(21-9-10-22-20)17(23-24)14-7-5-11-25(12-14)13-15-6-4-8-16(26-2)19(15)27-3/h4,6,8-10,14H,5,7,11-13H2,1-3H3/t14-/m1/s1.
What are the key properties of 3-[(3R)-1-[(2,3-dimethoxyphenyl)methyl]piperidin-3-yl]-1-methylpyrazolo[3,4-b]pyrazine?
3-[(3R)-1-[(2,3-dimethoxyphenyl)methyl]piperidin-3-yl]-1-methylpyrazolo[3,4-b]pyrazine has a molecular weight of 367.45 g/mol, XLogP of 2.76, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-1-[(2,3-dimethoxyphenyl)methyl]piperidin-3-yl]-1-methylpyrazolo[3,4-b]pyrazine is sourced from PubChem (CID 95855386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).