3-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]pyrazin-2-yl]-2H-pyrazolo[3,4-b]pyridine

C18H23N7 — CID 45107962

IUPAC3-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]pyrazin-2-yl]-2H-pyrazolo[3,4-b]pyridine
SMILESCC(C)C[C@H]1CN(c2cncc(-c3[nH]nc4ncccc34)n2)CCN1
InChIInChI=1S/C18H23N7/c1-12(2)8-13-11-25(7-6-20-13)16-10-19-9-15(22-16)17-14-4-3-5-21-18(14)24-23-17/h3-5,9-10,12-13,20H,6-8,11H2,1-2H3,(H,21,23,24)/t13-/m0/s1
InChIKeyZFDZPSJMTUIOLF-ZDUSSCGKSA-N
MW337.43 g/mol
LogP2.24
Rot. Bonds4

About 3-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]pyrazin-2-yl]-2H-pyrazolo[3,4-b]pyridine

3-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]pyrazin-2-yl]-2H-pyrazolo[3,4-b]pyridine (PubChem CID 45107962) has the molecular formula C18H23N7 and a molecular weight of 337.43 g/mol. Its IUPAC name is 3-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]pyrazin-2-yl]-2H-pyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name3-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]pyrazin-2-yl]-2H-pyrazolo[3,4-b]pyridine
PubChem CID45107962
Molecular FormulaC18H23N7
Molecular Weight337.43 g/mol
Exact Mass337.20
IUPAC Name3-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]pyrazin-2-yl]-2H-pyrazolo[3,4-b]pyridine
SMILESCC(C)C[C@H]1CN(c2cncc(-c3[nH]nc4ncccc34)n2)CCN1
InChIInChI=1S/C18H23N7/c1-12(2)8-13-11-25(7-6-20-13)16-10-19-9-15(22-16)17-14-4-3-5-21-18(14)24-23-17/h3-5,9-10,12-13,20H,6-8,11H2,1-2H3,(H,21,23,24)/t13-/m0/s1
InChIKeyZFDZPSJMTUIOLF-ZDUSSCGKSA-N
XLogP2.24
TPSA82.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]pyrazin-2-yl]-2H-pyrazolo[3,4-b]pyridine?
The IUPAC name of 3-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]pyrazin-2-yl]-2H-pyrazolo[3,4-b]pyridine (CID 45107962) is 3-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]pyrazin-2-yl]-2H-pyrazolo[3,4-b]pyridine.
What is the SMILES notation for 3-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]pyrazin-2-yl]-2H-pyrazolo[3,4-b]pyridine?
The canonical SMILES for 3-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]pyrazin-2-yl]-2H-pyrazolo[3,4-b]pyridine is CC(C)C[C@H]1CN(c2cncc(-c3[nH]nc4ncccc34)n2)CCN1.
What is the InChIKey of 3-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]pyrazin-2-yl]-2H-pyrazolo[3,4-b]pyridine?
The InChIKey is ZFDZPSJMTUIOLF-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H23N7/c1-12(2)8-13-11-25(7-6-20-13)16-10-19-9-15(22-16)17-14-4-3-5-21-18(14)24-23-17/h3-5,9-10,12-13,20H,6-8,11H2,1-2H3,(H,21,23,24)/t13-/m0/s1.
What are the key properties of 3-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]pyrazin-2-yl]-2H-pyrazolo[3,4-b]pyridine?
3-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]pyrazin-2-yl]-2H-pyrazolo[3,4-b]pyridine has a molecular weight of 337.43 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]pyrazin-2-yl]-2H-pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 45107962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).