[1-[3-(2-fluoro-3-methylphenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-yl]methanamine

C19H23FN6 — CID 134379135

IUPAC[1-[3-(2-fluoro-3-methylphenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-yl]methanamine
SMILESCc1cccc(-c2[nH]nc3nc(N4CCC(C)(CN)CC4)cnc23)c1F
InChIInChI=1S/C19H23FN6/c1-12-4-3-5-13(15(12)20)16-17-18(25-24-16)23-14(10-22-17)26-8-6-19(2,11-21)7-9-26/h3-5,10H,6-9,11,21H2,1-2H3,(H,23,24,25)
InChIKeyZYCWENVYJQTPKI-UHFFFAOYSA-N
MW354.43 g/mol
LogP3.03
Rot. Bonds3

About [1-[3-(2-fluoro-3-methylphenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-yl]methanamine

[1-[3-(2-fluoro-3-methylphenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-yl]methanamine (PubChem CID 134379135) has the molecular formula C19H23FN6 and a molecular weight of 354.43 g/mol. Its IUPAC name is [1-[3-(2-fluoro-3-methylphenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-yl]methanamine.

Molecular Properties

Compound Name[1-[3-(2-fluoro-3-methylphenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-yl]methanamine
PubChem CID134379135
Molecular FormulaC19H23FN6
Molecular Weight354.43 g/mol
Exact Mass354.20
IUPAC Name[1-[3-(2-fluoro-3-methylphenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-yl]methanamine
SMILESCc1cccc(-c2[nH]nc3nc(N4CCC(C)(CN)CC4)cnc23)c1F
InChIInChI=1S/C19H23FN6/c1-12-4-3-5-13(15(12)20)16-17-18(25-24-16)23-14(10-22-17)26-8-6-19(2,11-21)7-9-26/h3-5,10H,6-9,11,21H2,1-2H3,(H,23,24,25)
InChIKeyZYCWENVYJQTPKI-UHFFFAOYSA-N
XLogP3.03
TPSA83.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[3-(2-fluoro-3-methylphenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-yl]methanamine?
The IUPAC name of [1-[3-(2-fluoro-3-methylphenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-yl]methanamine (CID 134379135) is [1-[3-(2-fluoro-3-methylphenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-yl]methanamine.
What is the SMILES notation for [1-[3-(2-fluoro-3-methylphenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-yl]methanamine?
The canonical SMILES for [1-[3-(2-fluoro-3-methylphenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-yl]methanamine is Cc1cccc(-c2[nH]nc3nc(N4CCC(C)(CN)CC4)cnc23)c1F.
What is the InChIKey of [1-[3-(2-fluoro-3-methylphenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-yl]methanamine?
The InChIKey is ZYCWENVYJQTPKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN6/c1-12-4-3-5-13(15(12)20)16-17-18(25-24-16)23-14(10-22-17)26-8-6-19(2,11-21)7-9-26/h3-5,10H,6-9,11,21H2,1-2H3,(H,23,24,25).
What are the key properties of [1-[3-(2-fluoro-3-methylphenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-yl]methanamine?
[1-[3-(2-fluoro-3-methylphenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-yl]methanamine has a molecular weight of 354.43 g/mol, XLogP of 3.03, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-(2-fluoro-3-methylphenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-yl]methanamine is sourced from PubChem (CID 134379135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).