3-[(3R)-1-benzylpiperidin-3-yl]-2H-pyrazolo[3,4-b]pyrazine

C17H19N5 — CID 95853465

IUPAC3-[(3R)-1-benzylpiperidin-3-yl]-2H-pyrazolo[3,4-b]pyrazine
SMILESc1ccc(CN2CCC[C@@H](c3[nH]nc4nccnc34)C2)cc1
InChIInChI=1S/C17H19N5/c1-2-5-13(6-3-1)11-22-10-4-7-14(12-22)15-16-17(21-20-15)19-9-8-18-16/h1-3,5-6,8-9,14H,4,7,10-12H2,(H,19,20,21)/t14-/m1/s1
InChIKeyPCACIDHYKVUZAT-CQSZACIVSA-N
MW293.37 g/mol
LogP2.73
Rot. Bonds3

About 3-[(3R)-1-benzylpiperidin-3-yl]-2H-pyrazolo[3,4-b]pyrazine

3-[(3R)-1-benzylpiperidin-3-yl]-2H-pyrazolo[3,4-b]pyrazine (PubChem CID 95853465) has the molecular formula C17H19N5 and a molecular weight of 293.37 g/mol. Its IUPAC name is 3-[(3R)-1-benzylpiperidin-3-yl]-2H-pyrazolo[3,4-b]pyrazine.

Molecular Properties

Compound Name3-[(3R)-1-benzylpiperidin-3-yl]-2H-pyrazolo[3,4-b]pyrazine
PubChem CID95853465
Molecular FormulaC17H19N5
Molecular Weight293.37 g/mol
Exact Mass293.16
IUPAC Name3-[(3R)-1-benzylpiperidin-3-yl]-2H-pyrazolo[3,4-b]pyrazine
SMILESc1ccc(CN2CCC[C@@H](c3[nH]nc4nccnc34)C2)cc1
InChIInChI=1S/C17H19N5/c1-2-5-13(6-3-1)11-22-10-4-7-14(12-22)15-16-17(21-20-15)19-9-8-18-16/h1-3,5-6,8-9,14H,4,7,10-12H2,(H,19,20,21)/t14-/m1/s1
InChIKeyPCACIDHYKVUZAT-CQSZACIVSA-N
XLogP2.73
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-2H-pyrazolo[3,4-b]pyrazine
CID 46965629
3-[(3S)-1-(3-phenylpropyl)piperidin-3-yl]-2H-pyrazolo[3,4-b]pyrazine
CID 95853476
3-[1-(3-phenylpropyl)piperidin-3-yl]-2H-pyrazolo[3,4-b]pyrazine
CID 110234027
phenyl-[(3S)-3-(2H-pyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]methanone
CID 51590018
4-[[3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyridine
CID 129132920
CID 59694689
CID 59694689
1-benzyl-N-(1H-imidazol-2-yl)piperidin-3-amine
CID 106575517
2-[(3R)-1-benzylpiperidin-3-yl]-3-(2-fluorophenyl)pyrazine
CID 95818585
4-(1-benzylpiperidin-3-yl)-2-(methoxymethyl)pyrimidine
CID 141454585
(4R)-1-(4-fluorophenyl)-4-[(3S)-3-(2H-pyrazolo[3,4-b]pyrazin-3-yl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 51588949
5-[[(3S)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-2-phenylpyrimidine
CID 125009924
2-[1-(pyridin-4-ylmethyl)piperidin-3-yl]pyrazine
CID 110256923

Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-1-benzylpiperidin-3-yl]-2H-pyrazolo[3,4-b]pyrazine?
The IUPAC name of 3-[(3R)-1-benzylpiperidin-3-yl]-2H-pyrazolo[3,4-b]pyrazine (CID 95853465) is 3-[(3R)-1-benzylpiperidin-3-yl]-2H-pyrazolo[3,4-b]pyrazine.
What is the SMILES notation for 3-[(3R)-1-benzylpiperidin-3-yl]-2H-pyrazolo[3,4-b]pyrazine?
The canonical SMILES for 3-[(3R)-1-benzylpiperidin-3-yl]-2H-pyrazolo[3,4-b]pyrazine is c1ccc(CN2CCC[C@@H](c3[nH]nc4nccnc34)C2)cc1.
What is the InChIKey of 3-[(3R)-1-benzylpiperidin-3-yl]-2H-pyrazolo[3,4-b]pyrazine?
The InChIKey is PCACIDHYKVUZAT-CQSZACIVSA-N. The full InChI is InChI=1S/C17H19N5/c1-2-5-13(6-3-1)11-22-10-4-7-14(12-22)15-16-17(21-20-15)19-9-8-18-16/h1-3,5-6,8-9,14H,4,7,10-12H2,(H,19,20,21)/t14-/m1/s1.
What are the key properties of 3-[(3R)-1-benzylpiperidin-3-yl]-2H-pyrazolo[3,4-b]pyrazine?
3-[(3R)-1-benzylpiperidin-3-yl]-2H-pyrazolo[3,4-b]pyrazine has a molecular weight of 293.37 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-1-benzylpiperidin-3-yl]-2H-pyrazolo[3,4-b]pyrazine is sourced from PubChem (CID 95853465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).