3-[(3S)-1-(3-phenylpropyl)piperidin-3-yl]-2H-pyrazolo[3,4-b]pyrazine

C19H23N5 — CID 95853476

IUPAC3-[(3S)-1-(3-phenylpropyl)piperidin-3-yl]-2H-pyrazolo[3,4-b]pyrazine
SMILESc1ccc(CCCN2CCC[C@H](c3[nH]nc4nccnc34)C2)cc1
InChIInChI=1S/C19H23N5/c1-2-6-15(7-3-1)8-4-12-24-13-5-9-16(14-24)17-18-19(23-22-17)21-11-10-20-18/h1-3,6-7,10-11,16H,4-5,8-9,12-14H2,(H,21,22,23)/t16-/m0/s1
InChIKeyKJZIXWLKJNOYFJ-INIZCTEOSA-N
MW321.43 g/mol
LogP3.17
Rot. Bonds5

About 3-[(3S)-1-(3-phenylpropyl)piperidin-3-yl]-2H-pyrazolo[3,4-b]pyrazine

3-[(3S)-1-(3-phenylpropyl)piperidin-3-yl]-2H-pyrazolo[3,4-b]pyrazine (PubChem CID 95853476) has the molecular formula C19H23N5 and a molecular weight of 321.43 g/mol. Its IUPAC name is 3-[(3S)-1-(3-phenylpropyl)piperidin-3-yl]-2H-pyrazolo[3,4-b]pyrazine.

Molecular Properties

Compound Name3-[(3S)-1-(3-phenylpropyl)piperidin-3-yl]-2H-pyrazolo[3,4-b]pyrazine
PubChem CID95853476
Molecular FormulaC19H23N5
Molecular Weight321.43 g/mol
Exact Mass321.20
IUPAC Name3-[(3S)-1-(3-phenylpropyl)piperidin-3-yl]-2H-pyrazolo[3,4-b]pyrazine
SMILESc1ccc(CCCN2CCC[C@H](c3[nH]nc4nccnc34)C2)cc1
InChIInChI=1S/C19H23N5/c1-2-6-15(7-3-1)8-4-12-24-13-5-9-16(14-24)17-18-19(23-22-17)21-11-10-20-18/h1-3,6-7,10-11,16H,4-5,8-9,12-14H2,(H,21,22,23)/t16-/m0/s1
InChIKeyKJZIXWLKJNOYFJ-INIZCTEOSA-N
XLogP3.17
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.43
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-(3-phenylpropyl)piperidin-3-yl]-2H-pyrazolo[3,4-b]pyrazine
CID 110234027
3-[(3R)-1-benzylpiperidin-3-yl]-2H-pyrazolo[3,4-b]pyrazine
CID 95853465
3-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-2H-pyrazolo[3,4-b]pyrazine
CID 46965629
phenyl-[(3S)-3-(2H-pyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]methanone
CID 51590018
2-(2-methylimidazol-1-yl)-3-[1-(3-phenylpropyl)piperidin-3-yl]pyrazine
CID 110250098
3-(4-methyl-1H-pyrazol-5-yl)-1-(2-phenylethyl)piperidine
CID 110270657
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
[(3S)-1-(3-phenylpropyl)piperidin-3-yl]methanol
CID 10966412
3-phenyl-N-[[4-(2H-pyrazolo[3,4-b]pyrazin-3-yl)cyclohexyl]methyl]propanamide
CID 98074501
(3S)-3-(3-methoxyphenyl)-1-(3-phenylpropyl)piperidine
CID 54564163
(3R)-3-(5-methyl-1H-imidazol-2-yl)-1-(2-phenylethyl)piperidine
CID 125014452

Frequently Asked Questions

What is the IUPAC name of 3-[(3S)-1-(3-phenylpropyl)piperidin-3-yl]-2H-pyrazolo[3,4-b]pyrazine?
The IUPAC name of 3-[(3S)-1-(3-phenylpropyl)piperidin-3-yl]-2H-pyrazolo[3,4-b]pyrazine (CID 95853476) is 3-[(3S)-1-(3-phenylpropyl)piperidin-3-yl]-2H-pyrazolo[3,4-b]pyrazine.
What is the SMILES notation for 3-[(3S)-1-(3-phenylpropyl)piperidin-3-yl]-2H-pyrazolo[3,4-b]pyrazine?
The canonical SMILES for 3-[(3S)-1-(3-phenylpropyl)piperidin-3-yl]-2H-pyrazolo[3,4-b]pyrazine is c1ccc(CCCN2CCC[C@H](c3[nH]nc4nccnc34)C2)cc1.
What is the InChIKey of 3-[(3S)-1-(3-phenylpropyl)piperidin-3-yl]-2H-pyrazolo[3,4-b]pyrazine?
The InChIKey is KJZIXWLKJNOYFJ-INIZCTEOSA-N. The full InChI is InChI=1S/C19H23N5/c1-2-6-15(7-3-1)8-4-12-24-13-5-9-16(14-24)17-18-19(23-22-17)21-11-10-20-18/h1-3,6-7,10-11,16H,4-5,8-9,12-14H2,(H,21,22,23)/t16-/m0/s1.
What are the key properties of 3-[(3S)-1-(3-phenylpropyl)piperidin-3-yl]-2H-pyrazolo[3,4-b]pyrazine?
3-[(3S)-1-(3-phenylpropyl)piperidin-3-yl]-2H-pyrazolo[3,4-b]pyrazine has a molecular weight of 321.43 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S)-1-(3-phenylpropyl)piperidin-3-yl]-2H-pyrazolo[3,4-b]pyrazine is sourced from PubChem (CID 95853476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).