[1-[3-(1H-indol-5-yloxy)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-yl]methanamine

C20H23N7O — CID 135388448

IUPAC[1-[3-(1H-indol-5-yloxy)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-yl]methanamine
SMILESCC1(CN)CCN(c2cnc3c(Oc4ccc5[nH]ccc5c4)n[nH]c3n2)CC1
InChIInChI=1S/C20H23N7O/c1-20(12-21)5-8-27(9-6-20)16-11-23-17-18(24-16)25-26-19(17)28-14-2-3-15-13(10-14)4-7-22-15/h2-4,7,10-11,22H,5-6,8-9,12,21H2,1H3,(H,24,25,26)
InChIKeyPZOKGOMCTMONSZ-UHFFFAOYSA-N
MW377.45 g/mol
LogP3.19
Rot. Bonds4

About [1-[3-(1H-indol-5-yloxy)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-yl]methanamine

[1-[3-(1H-indol-5-yloxy)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-yl]methanamine (PubChem CID 135388448) has the molecular formula C20H23N7O and a molecular weight of 377.45 g/mol. Its IUPAC name is [1-[3-(1H-indol-5-yloxy)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-yl]methanamine.

Molecular Properties

Compound Name[1-[3-(1H-indol-5-yloxy)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-yl]methanamine
PubChem CID135388448
Molecular FormulaC20H23N7O
Molecular Weight377.45 g/mol
Exact Mass377.20
IUPAC Name[1-[3-(1H-indol-5-yloxy)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-yl]methanamine
SMILESCC1(CN)CCN(c2cnc3c(Oc4ccc5[nH]ccc5c4)n[nH]c3n2)CC1
InChIInChI=1S/C20H23N7O/c1-20(12-21)5-8-27(9-6-20)16-11-23-17-18(24-16)25-26-19(17)28-14-2-3-15-13(10-14)4-7-22-15/h2-4,7,10-11,22H,5-6,8-9,12,21H2,1H3,(H,24,25,26)
InChIKeyPZOKGOMCTMONSZ-UHFFFAOYSA-N
XLogP3.19
TPSA108.74 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 53.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-[3-(1H-indol-5-yloxy)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-yl]methanamine?
The IUPAC name of [1-[3-(1H-indol-5-yloxy)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-yl]methanamine (CID 135388448) is [1-[3-(1H-indol-5-yloxy)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-yl]methanamine.
What is the SMILES notation for [1-[3-(1H-indol-5-yloxy)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-yl]methanamine?
The canonical SMILES for [1-[3-(1H-indol-5-yloxy)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-yl]methanamine is CC1(CN)CCN(c2cnc3c(Oc4ccc5[nH]ccc5c4)n[nH]c3n2)CC1.
What is the InChIKey of [1-[3-(1H-indol-5-yloxy)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-yl]methanamine?
The InChIKey is PZOKGOMCTMONSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N7O/c1-20(12-21)5-8-27(9-6-20)16-11-23-17-18(24-16)25-26-19(17)28-14-2-3-15-13(10-14)4-7-22-15/h2-4,7,10-11,22H,5-6,8-9,12,21H2,1H3,(H,24,25,26).
What are the key properties of [1-[3-(1H-indol-5-yloxy)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-yl]methanamine?
[1-[3-(1H-indol-5-yloxy)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-yl]methanamine has a molecular weight of 377.45 g/mol, XLogP of 3.19, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-(1H-indol-5-yloxy)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-yl]methanamine is sourced from PubChem (CID 135388448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).