[(2R,4R)-1-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-2-phenylpiperidin-4-yl]methanamine

C25H28N8 — CID 146642409

IUPAC[(2R,4R)-1-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-2-phenylpiperidin-4-yl]methanamine
SMILESNC[C@@H]1CCN(c2cnc3c(N4CCCc5ncccc54)n[nH]c3n2)[C@@H](c2ccccc2)C1
InChIInChI=1S/C25H28N8/c26-15-17-10-13-32(21(14-17)18-6-2-1-3-7-18)22-16-28-23-24(29-22)30-31-25(23)33-12-5-8-19-20(33)9-4-11-27-19/h1-4,6-7,9,11,16-17,21H,5,8,10,12-15,26H2,(H,29,30,31)/t17-,21-/m1/s1
InChIKeyKBXZQZSYBUOHOA-DYESRHJHSA-N
MW440.56 g/mol
LogP3.75
Rot. Bonds4

About [(2R,4R)-1-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-2-phenylpiperidin-4-yl]methanamine

[(2R,4R)-1-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-2-phenylpiperidin-4-yl]methanamine (PubChem CID 146642409) has the molecular formula C25H28N8 and a molecular weight of 440.56 g/mol. Its IUPAC name is [(2R,4R)-1-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-2-phenylpiperidin-4-yl]methanamine.

Molecular Properties

Compound Name[(2R,4R)-1-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-2-phenylpiperidin-4-yl]methanamine
PubChem CID146642409
Molecular FormulaC25H28N8
Molecular Weight440.56 g/mol
Exact Mass440.24
IUPAC Name[(2R,4R)-1-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-2-phenylpiperidin-4-yl]methanamine
SMILESNC[C@@H]1CCN(c2cnc3c(N4CCCc5ncccc54)n[nH]c3n2)[C@@H](c2ccccc2)C1
InChIInChI=1S/C25H28N8/c26-15-17-10-13-32(21(14-17)18-6-2-1-3-7-18)22-16-28-23-24(29-22)30-31-25(23)33-12-5-8-19-20(33)9-4-11-27-19/h1-4,6-7,9,11,16-17,21H,5,8,10,12-15,26H2,(H,29,30,31)/t17-,21-/m1/s1
InChIKeyKBXZQZSYBUOHOA-DYESRHJHSA-N
XLogP3.75
TPSA99.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.56
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [(2R,4R)-1-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-2-phenylpiperidin-4-yl]methanamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(2R,4R)-1-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-2-phenylpiperidin-4-yl]methanamine?
The IUPAC name of [(2R,4R)-1-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-2-phenylpiperidin-4-yl]methanamine (CID 146642409) is [(2R,4R)-1-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-2-phenylpiperidin-4-yl]methanamine.
What is the SMILES notation for [(2R,4R)-1-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-2-phenylpiperidin-4-yl]methanamine?
The canonical SMILES for [(2R,4R)-1-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-2-phenylpiperidin-4-yl]methanamine is NC[C@@H]1CCN(c2cnc3c(N4CCCc5ncccc54)n[nH]c3n2)[C@@H](c2ccccc2)C1.
What is the InChIKey of [(2R,4R)-1-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-2-phenylpiperidin-4-yl]methanamine?
The InChIKey is KBXZQZSYBUOHOA-DYESRHJHSA-N. The full InChI is InChI=1S/C25H28N8/c26-15-17-10-13-32(21(14-17)18-6-2-1-3-7-18)22-16-28-23-24(29-22)30-31-25(23)33-12-5-8-19-20(33)9-4-11-27-19/h1-4,6-7,9,11,16-17,21H,5,8,10,12-15,26H2,(H,29,30,31)/t17-,21-/m1/s1.
What are the key properties of [(2R,4R)-1-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-2-phenylpiperidin-4-yl]methanamine?
[(2R,4R)-1-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-2-phenylpiperidin-4-yl]methanamine has a molecular weight of 440.56 g/mol, XLogP of 3.75, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,4R)-1-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-2-phenylpiperidin-4-yl]methanamine is sourced from PubChem (CID 146642409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).