1-[3-(3,4-dihydro-2H-quinolin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine

C20H25N7 — CID 134474026

IUPAC1-[3-(3,4-dihydro-2H-quinolin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine
SMILESCC1(N)CCN(c2cnc3c(N4CCCc5ccccc54)n[nH]c3n2)CC1
InChIInChI=1S/C20H25N7/c1-20(21)8-11-26(12-9-20)16-13-22-17-18(23-16)24-25-19(17)27-10-4-6-14-5-2-3-7-15(14)27/h2-3,5,7,13H,4,6,8-12,21H2,1H3,(H,23,24,25)
InChIKeyDEGBOULGTZYYTD-UHFFFAOYSA-N
MW363.47 g/mol
LogP2.75
Rot. Bonds2

About 1-[3-(3,4-dihydro-2H-quinolin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine

1-[3-(3,4-dihydro-2H-quinolin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine (PubChem CID 134474026) has the molecular formula C20H25N7 and a molecular weight of 363.47 g/mol. Its IUPAC name is 1-[3-(3,4-dihydro-2H-quinolin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine.

Molecular Properties

Compound Name1-[3-(3,4-dihydro-2H-quinolin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine
PubChem CID134474026
Molecular FormulaC20H25N7
Molecular Weight363.47 g/mol
Exact Mass363.22
IUPAC Name1-[3-(3,4-dihydro-2H-quinolin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine
SMILESCC1(N)CCN(c2cnc3c(N4CCCc5ccccc54)n[nH]c3n2)CC1
InChIInChI=1S/C20H25N7/c1-20(21)8-11-26(12-9-20)16-13-22-17-18(23-16)24-25-19(17)27-10-4-6-14-5-2-3-7-15(14)27/h2-3,5,7,13H,4,6,8-12,21H2,1H3,(H,23,24,25)
InChIKeyDEGBOULGTZYYTD-UHFFFAOYSA-N
XLogP2.75
TPSA86.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(3,4-dihydro-2H-quinolin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine?
The IUPAC name of 1-[3-(3,4-dihydro-2H-quinolin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine (CID 134474026) is 1-[3-(3,4-dihydro-2H-quinolin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine.
What is the SMILES notation for 1-[3-(3,4-dihydro-2H-quinolin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine?
The canonical SMILES for 1-[3-(3,4-dihydro-2H-quinolin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine is CC1(N)CCN(c2cnc3c(N4CCCc5ccccc54)n[nH]c3n2)CC1.
What is the InChIKey of 1-[3-(3,4-dihydro-2H-quinolin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine?
The InChIKey is DEGBOULGTZYYTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N7/c1-20(21)8-11-26(12-9-20)16-13-22-17-18(23-16)24-25-19(17)27-10-4-6-14-5-2-3-7-15(14)27/h2-3,5,7,13H,4,6,8-12,21H2,1H3,(H,23,24,25).
What are the key properties of 1-[3-(3,4-dihydro-2H-quinolin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine?
1-[3-(3,4-dihydro-2H-quinolin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine has a molecular weight of 363.47 g/mol, XLogP of 2.75, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3,4-dihydro-2H-quinolin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine is sourced from PubChem (CID 134474026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).