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

C25H34N8O — CID 135388409

IUPAC[(2R)-1-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-2-methylpiperidin-4-yl]methanamine
SMILESC[C@@H]1CC(CN)CCN1c1cnc2c(N3CCCc4ncccc43)nn(C3CCCCO3)c2n1
InChIInChI=1S/C25H34N8O/c1-17-14-18(15-26)9-12-31(17)21-16-28-23-24(29-21)33(22-8-2-3-13-34-22)30-25(23)32-11-5-6-19-20(32)7-4-10-27-19/h4,7,10,16-18,22H,2-3,5-6,8-9,11-15,26H2,1H3/t17-,18?,22?/m1/s1
InChIKeyPMJNJEYUJMCQLC-PDDLGQBUSA-N
MW462.60 g/mol
LogP3.57
Rot. Bonds4

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

[(2R)-1-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-2-methylpiperidin-4-yl]methanamine (PubChem CID 135388409) has the molecular formula C25H34N8O and a molecular weight of 462.60 g/mol. Its IUPAC name is [(2R)-1-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-2-methylpiperidin-4-yl]methanamine.

Molecular Properties

Compound Name[(2R)-1-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-2-methylpiperidin-4-yl]methanamine
PubChem CID135388409
Molecular FormulaC25H34N8O
Molecular Weight462.60 g/mol
Exact Mass462.29
IUPAC Name[(2R)-1-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-2-methylpiperidin-4-yl]methanamine
SMILESC[C@@H]1CC(CN)CCN1c1cnc2c(N3CCCc4ncccc43)nn(C3CCCCO3)c2n1
InChIInChI=1S/C25H34N8O/c1-17-14-18(15-26)9-12-31(17)21-16-28-23-24(29-21)33(22-8-2-3-13-34-22)30-25(23)32-11-5-6-19-20(32)7-4-10-27-19/h4,7,10,16-18,22H,2-3,5-6,8-9,11-15,26H2,1H3/t17-,18?,22?/m1/s1
InChIKeyPMJNJEYUJMCQLC-PDDLGQBUSA-N
XLogP3.57
TPSA98.22 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.60
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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

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Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-2-methylpiperidin-4-yl]methanamine?
The IUPAC name of [(2R)-1-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-2-methylpiperidin-4-yl]methanamine (CID 135388409) is [(2R)-1-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-2-methylpiperidin-4-yl]methanamine.
What is the SMILES notation for [(2R)-1-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-2-methylpiperidin-4-yl]methanamine?
The canonical SMILES for [(2R)-1-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-2-methylpiperidin-4-yl]methanamine is C[C@@H]1CC(CN)CCN1c1cnc2c(N3CCCc4ncccc43)nn(C3CCCCO3)c2n1.
What is the InChIKey of [(2R)-1-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-2-methylpiperidin-4-yl]methanamine?
The InChIKey is PMJNJEYUJMCQLC-PDDLGQBUSA-N. The full InChI is InChI=1S/C25H34N8O/c1-17-14-18(15-26)9-12-31(17)21-16-28-23-24(29-21)33(22-8-2-3-13-34-22)30-25(23)32-11-5-6-19-20(32)7-4-10-27-19/h4,7,10,16-18,22H,2-3,5-6,8-9,11-15,26H2,1H3/t17-,18?,22?/m1/s1.
What are the key properties of [(2R)-1-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-2-methylpiperidin-4-yl]methanamine?
[(2R)-1-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-2-methylpiperidin-4-yl]methanamine has a molecular weight of 462.60 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-2-methylpiperidin-4-yl]methanamine is sourced from PubChem (CID 135388409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).