[4-amino-1-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-yl]methanol

C24H32N8O2 — CID 135388491

IUPAC[4-amino-1-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-yl]methanol
SMILESNC1(CO)CCN(c2cnc3c(N4CCCc5ncccc54)nn(C4CCCCO4)c3n2)CC1
InChIInChI=1S/C24H32N8O2/c25-24(16-33)8-12-30(13-9-24)19-15-27-21-22(28-19)32(20-7-1-2-14-34-20)29-23(21)31-11-4-5-17-18(31)6-3-10-26-17/h3,6,10,15,20,33H,1-2,4-5,7-9,11-14,16,25H2
InChIKeyLOSVTLNMWWBOGX-UHFFFAOYSA-N
MW464.57 g/mol
LogP2.29
Rot. Bonds4

About [4-amino-1-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-yl]methanol

[4-amino-1-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-yl]methanol (PubChem CID 135388491) has the molecular formula C24H32N8O2 and a molecular weight of 464.57 g/mol. Its IUPAC name is [4-amino-1-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[4-amino-1-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-yl]methanol
PubChem CID135388491
Molecular FormulaC24H32N8O2
Molecular Weight464.57 g/mol
Exact Mass464.26
IUPAC Name[4-amino-1-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-yl]methanol
SMILESNC1(CO)CCN(c2cnc3c(N4CCCc5ncccc54)nn(C4CCCCO4)c3n2)CC1
InChIInChI=1S/C24H32N8O2/c25-24(16-33)8-12-30(13-9-24)19-15-27-21-22(28-19)32(20-7-1-2-14-34-20)29-23(21)31-11-4-5-17-18(31)6-3-10-26-17/h3,6,10,15,20,33H,1-2,4-5,7-9,11-14,16,25H2
InChIKeyLOSVTLNMWWBOGX-UHFFFAOYSA-N
XLogP2.29
TPSA118.45 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.57
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze [4-amino-1-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-yl]methanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of [4-amino-1-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-yl]methanol?
The IUPAC name of [4-amino-1-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-yl]methanol (CID 135388491) is [4-amino-1-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-yl]methanol.
What is the SMILES notation for [4-amino-1-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-yl]methanol?
The canonical SMILES for [4-amino-1-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-yl]methanol is NC1(CO)CCN(c2cnc3c(N4CCCc5ncccc54)nn(C4CCCCO4)c3n2)CC1.
What is the InChIKey of [4-amino-1-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-yl]methanol?
The InChIKey is LOSVTLNMWWBOGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N8O2/c25-24(16-33)8-12-30(13-9-24)19-15-27-21-22(28-19)32(20-7-1-2-14-34-20)29-23(21)31-11-4-5-17-18(31)6-3-10-26-17/h3,6,10,15,20,33H,1-2,4-5,7-9,11-14,16,25H2.
What are the key properties of [4-amino-1-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-yl]methanol?
[4-amino-1-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-yl]methanol has a molecular weight of 464.57 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-1-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-yl]methanol is sourced from PubChem (CID 135388491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).