[1-[3-(5-cyclopropyl-3,4-dihydro-2H-quinolin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-yl]methanamine

C24H31N7 — CID 142484325

IUPAC[1-[3-(5-cyclopropyl-3,4-dihydro-2H-quinolin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-yl]methanamine
SMILESCC1(CN)CCN(c2cnc3c(N4CCCc5c(C6CC6)cccc54)n[nH]c3n2)CC1
InChIInChI=1S/C24H31N7/c1-24(15-25)9-12-30(13-10-24)20-14-26-21-22(27-20)28-29-23(21)31-11-3-5-18-17(16-7-8-16)4-2-6-19(18)31/h2,4,6,14,16H,3,5,7-13,15,25H2,1H3,(H,27,28,29)
InChIKeyIWXPVIIOPIMYLI-UHFFFAOYSA-N
MW417.56 g/mol
LogP3.88
Rot. Bonds4

About [1-[3-(5-cyclopropyl-3,4-dihydro-2H-quinolin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-yl]methanamine

[1-[3-(5-cyclopropyl-3,4-dihydro-2H-quinolin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-yl]methanamine (PubChem CID 142484325) has the molecular formula C24H31N7 and a molecular weight of 417.56 g/mol. Its IUPAC name is [1-[3-(5-cyclopropyl-3,4-dihydro-2H-quinolin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-yl]methanamine.

Molecular Properties

Compound Name[1-[3-(5-cyclopropyl-3,4-dihydro-2H-quinolin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-yl]methanamine
PubChem CID142484325
Molecular FormulaC24H31N7
Molecular Weight417.56 g/mol
Exact Mass417.26
IUPAC Name[1-[3-(5-cyclopropyl-3,4-dihydro-2H-quinolin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-yl]methanamine
SMILESCC1(CN)CCN(c2cnc3c(N4CCCc5c(C6CC6)cccc54)n[nH]c3n2)CC1
InChIInChI=1S/C24H31N7/c1-24(15-25)9-12-30(13-10-24)20-14-26-21-22(27-20)28-29-23(21)31-11-3-5-18-17(16-7-8-16)4-2-6-19(18)31/h2,4,6,14,16H,3,5,7-13,15,25H2,1H3,(H,27,28,29)
InChIKeyIWXPVIIOPIMYLI-UHFFFAOYSA-N
XLogP3.88
TPSA86.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.56
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-[3-(5-cyclopropyl-3,4-dihydro-2H-quinolin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-yl]methanamine?
The IUPAC name of [1-[3-(5-cyclopropyl-3,4-dihydro-2H-quinolin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-yl]methanamine (CID 142484325) is [1-[3-(5-cyclopropyl-3,4-dihydro-2H-quinolin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-yl]methanamine.
What is the SMILES notation for [1-[3-(5-cyclopropyl-3,4-dihydro-2H-quinolin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-yl]methanamine?
The canonical SMILES for [1-[3-(5-cyclopropyl-3,4-dihydro-2H-quinolin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-yl]methanamine is CC1(CN)CCN(c2cnc3c(N4CCCc5c(C6CC6)cccc54)n[nH]c3n2)CC1.
What is the InChIKey of [1-[3-(5-cyclopropyl-3,4-dihydro-2H-quinolin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-yl]methanamine?
The InChIKey is IWXPVIIOPIMYLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N7/c1-24(15-25)9-12-30(13-10-24)20-14-26-21-22(27-20)28-29-23(21)31-11-3-5-18-17(16-7-8-16)4-2-6-19(18)31/h2,4,6,14,16H,3,5,7-13,15,25H2,1H3,(H,27,28,29).
What are the key properties of [1-[3-(5-cyclopropyl-3,4-dihydro-2H-quinolin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-yl]methanamine?
[1-[3-(5-cyclopropyl-3,4-dihydro-2H-quinolin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-yl]methanamine has a molecular weight of 417.56 g/mol, XLogP of 3.88, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-(5-cyclopropyl-3,4-dihydro-2H-quinolin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-yl]methanamine is sourced from PubChem (CID 142484325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).