(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-amine

C24H32N8O — CID 134473771

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-amine
SMILESC[C@@H]1CC(N)CCN1c1cnc2c(N3CCCc4ncccc43)nn(C3CCCCO3)c2n1
InChIInChI=1S/C24H32N8O/c1-16-14-17(25)9-12-30(16)20-15-27-22-23(28-20)32(21-8-2-3-13-33-21)29-24(22)31-11-5-6-18-19(31)7-4-10-26-18/h4,7,10,15-17,21H,2-3,5-6,8-9,11-14,25H2,1H3/t16-,17?,21?/m1/s1
InChIKeyOKFPPSNEMRHPIL-ZGGTZUKQSA-N
MW448.58 g/mol
LogP3.32
Rot. Bonds3

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-amine

(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-amine (PubChem CID 134473771) has the molecular formula C24H32N8O and a molecular weight of 448.58 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-amine.

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-amine
PubChem CID134473771
Molecular FormulaC24H32N8O
Molecular Weight448.58 g/mol
Exact Mass448.27
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-amine
SMILESC[C@@H]1CC(N)CCN1c1cnc2c(N3CCCc4ncccc43)nn(C3CCCCO3)c2n1
InChIInChI=1S/C24H32N8O/c1-16-14-17(25)9-12-30(16)20-15-27-22-23(28-20)32(21-8-2-3-13-33-21)29-24(22)31-11-5-6-18-19(31)7-4-10-26-18/h4,7,10,15-17,21H,2-3,5-6,8-9,11-14,25H2,1H3/t16-,17?,21?/m1/s1
InChIKeyOKFPPSNEMRHPIL-ZGGTZUKQSA-N
XLogP3.32
TPSA98.22 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.58
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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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-amine?
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-amine (CID 134473771) 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-amine.
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-amine?
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-amine is C[C@@H]1CC(N)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-amine?
The InChIKey is OKFPPSNEMRHPIL-ZGGTZUKQSA-N. The full InChI is InChI=1S/C24H32N8O/c1-16-14-17(25)9-12-30(16)20-15-27-22-23(28-20)32(21-8-2-3-13-33-21)29-24(22)31-11-5-6-18-19(31)7-4-10-26-18/h4,7,10,15-17,21H,2-3,5-6,8-9,11-14,25H2,1H3/t16-,17?,21?/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-amine?
(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-amine has a molecular weight of 448.58 g/mol, XLogP of 3.32, 3 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-amine is sourced from PubChem (CID 134473771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).