6-chloro-3-iodo-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazine;(2R,4S)-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,4S)-1-[7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]-2-methylpiperidin-4-amine;(2R)-2,4-dimethylpiperidine;6-[(2R,4S)-2,4-dimethylpiperidin-1-yl]-3-iodo-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazine;1-[6-[(2R,4S)-2,4-dimethylpiperidin-1-yl]-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-3-yl]-3,4-dihydro-2H-1,5-naphthyridine;1,2,3,4-tetrahydro-1,5-naphthyridine

C111H149ClI2N34O4 — CID 157277980

About 6-chloro-3-iodo-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazine;(2R,4S)-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,4S)-1-[7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]-2-methylpiperidin-4-amine;(2R)-2,4-dimethylpiperidine;6-[(2R,4S)-2,4-dimethylpiperidin-1-yl]-3-iodo-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazine;1-[6-[(2R,4S)-2,4-dimethylpiperidin-1-yl]-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-3-yl]-3,4-dihydro-2H-1,5-naphthyridine;1,2,3,4-tetrahydro-1,5-naphthyridine

6-chloro-3-iodo-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazine;(2R,4S)-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,4S)-1-[7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]-2-methylpiperidin-4-amine;(2R)-2,4-dimethylpiperidine;6-[(2R,4S)-2,4-dimethylpiperidin-1-yl]-3-iodo-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazine;1-[6-[(2R,4S)-2,4-dimethylpiperidin-1-yl]-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-3-yl]-3,4-dihydro-2H-1,5-naphthyridine;1,2,3,4-tetrahydro-1,5-naphthyridine (PubChem CID 157277980) has the molecular formula C111H149ClI2N34O4 and a molecular weight of 2312.91 g/mol. Its IUPAC name is 6-chloro-3-iodo-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazine;(2R,4S)-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,4S)-1-[7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]-2-methylpiperidin-4-amine;(2R)-2,4-dimethylpiperidine;6-[(2R,4S)-2,4-dimethylpiperidin-1-yl]-3-iodo-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazine;1-[6-[(2R,4S)-2,4-dimethylpiperidin-1-yl]-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-3-yl]-3,4-dihydro-2H-1,5-naphthyridine;1,2,3,4-tetrahydro-1,5-naphthyridine.

Molecular Properties

• Compound Name: 6-chloro-3-iodo-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazine;(2R,4S)-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,4S)-1-[7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]-2-methylpiperidin-4-amine;(2R)-2,4-dimethylpiperidine;6-[(2R,4S)-2,4-dimethylpiperidin-1-yl]-3-iodo-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazine;1-[6-[(2R,4S)-2,4-dimethylpiperidin-1-yl]-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-3-yl]-3,4-dihydro-2H-1,5-naphthyridine;1,2,3,4-tetrahydro-1,5-naphthyridine
• PubChem CID: 157277980
• Molecular Formula: C111H149ClI2N34O4
• Molecular Weight: 2312.91 g/mol
• Exact Mass: 2311.03
• IUPAC Name: 6-chloro-3-iodo-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazine;(2R,4S)-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,4S)-1-[7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]-2-methylpiperidin-4-amine;(2R)-2,4-dimethylpiperidine;6-[(2R,4S)-2,4-dimethylpiperidin-1-yl]-3-iodo-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazine;1-[6-[(2R,4S)-2,4-dimethylpiperidin-1-yl]-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-3-yl]-3,4-dihydro-2H-1,5-naphthyridine;1,2,3,4-tetrahydro-1,5-naphthyridine
• SMILES: CC1CCN[C@H](C)C1.C[C@@H]1C[C@@H](N)CCN1c1cnc2c(N3CCCc4ncccc43)nn(C3CCCCO3)c2n1.C[C@@H]1C[C@@H](N)CCN1c1cnc2c(n1)CN=C2N1CCCc2ncccc21.C[C@H]1CCN(c2cnc3c(I)nn(C4CCCCO4)c3n2)[C@H](C)C1.C[C@H]1CCN(c2cnc3c(N4CCCc5ncccc54)nn(C4CCCCO4)c3n2)[C@H](C)C1.Clc1cnc2c(I)nn(C3CCCCO3)c2n1.c1cnc2c(c1)NCCC2
• InChI: InChI=1S/C25H33N7O.C24H32N8O.C20H25N7.C17H24IN5O.C10H10ClIN4O.C8H10N2.C7H15N/c1-17-10-13-30(18(2)15-17)21-16-27-23-24(28-21)32(22-9-3-4-14-33-22)29-25(23)31-12-6-7-19-20(31)8-5-11-26-19;1-16-14-17(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;1-13-10-14(21)6-9-26(13)18-12-23-19-16(25-18)11-24-20(19)27-8-3-4-15-17(27)5-2-7-22-15;1-11-6-7-22(12(2)9-11)13-10-19-15-16(18)21-23(17(15)20-13)14-5-3-4-8-24-14;11-6-5-13-8-9(12)15-16(10(8)14-6)7-3-1-2-4-17-7;1-3-7-8(9-5-1)4-2-6-10-7;1-6-3-4-8-7(2)5-6/h5,8,11,16-18,22H,3-4,6-7,9-10,12-15H2,1-2H3;4,7,10,15-17,21H,2-3,5-6,8-9,11-14,25H2,1H3;2,5,7,12-14H,3-4,6,8-11,21H2,1H3;10-12,14H,3-9H2,1-2H3;5,7H,1-4H2;1,3,5,10H,2,4,6H2;6-8H,3-5H2,1-2H3/t17-,18+,22?;16-,17+,21?;13-,14+;11-,12+,14?;;;6?,7-/m0110..1/s1
• InChIKey: AZIBIEHEQWGMIG-YWSAWIPHSA-N
• XLogP: 19.22
• TPSA: 399.80 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 38
• Rotatable Bonds: 10
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2312.91
LogP ≤ 5	19.22
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-iodo-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazine;(2R,4S)-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,4S)-1-[7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]-2-methylpiperidin-4-amine;(2R)-2,4-dimethylpiperidine;6-[(2R,4S)-2,4-dimethylpiperidin-1-yl]-3-iodo-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazine;1-[6-[(2R,4S)-2,4-dimethylpiperidin-1-yl]-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-3-yl]-3,4-dihydro-2H-1,5-naphthyridine;1,2,3,4-tetrahydro-1,5-naphthyridine?

The IUPAC name of 6-chloro-3-iodo-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazine;(2R,4S)-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,4S)-1-[7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]-2-methylpiperidin-4-amine;(2R)-2,4-dimethylpiperidine;6-[(2R,4S)-2,4-dimethylpiperidin-1-yl]-3-iodo-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazine;1-[6-[(2R,4S)-2,4-dimethylpiperidin-1-yl]-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-3-yl]-3,4-dihydro-2H-1,5-naphthyridine;1,2,3,4-tetrahydro-1,5-naphthyridine (CID 157277980) is 6-chloro-3-iodo-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazine;(2R,4S)-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,4S)-1-[7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]-2-methylpiperidin-4-amine;(2R)-2,4-dimethylpiperidine;6-[(2R,4S)-2,4-dimethylpiperidin-1-yl]-3-iodo-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazine;1-[6-[(2R,4S)-2,4-dimethylpiperidin-1-yl]-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-3-yl]-3,4-dihydro-2H-1,5-naphthyridine;1,2,3,4-tetrahydro-1,5-naphthyridine.

What is the SMILES notation for 6-chloro-3-iodo-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazine;(2R,4S)-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,4S)-1-[7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]-2-methylpiperidin-4-amine;(2R)-2,4-dimethylpiperidine;6-[(2R,4S)-2,4-dimethylpiperidin-1-yl]-3-iodo-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazine;1-[6-[(2R,4S)-2,4-dimethylpiperidin-1-yl]-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-3-yl]-3,4-dihydro-2H-1,5-naphthyridine;1,2,3,4-tetrahydro-1,5-naphthyridine?

The canonical SMILES for 6-chloro-3-iodo-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazine;(2R,4S)-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,4S)-1-[7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]-2-methylpiperidin-4-amine;(2R)-2,4-dimethylpiperidine;6-[(2R,4S)-2,4-dimethylpiperidin-1-yl]-3-iodo-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazine;1-[6-[(2R,4S)-2,4-dimethylpiperidin-1-yl]-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-3-yl]-3,4-dihydro-2H-1,5-naphthyridine;1,2,3,4-tetrahydro-1,5-naphthyridine is CC1CCN[C@H](C)C1.C[C@@H]1C[C@@H](N)CCN1c1cnc2c(N3CCCc4ncccc43)nn(C3CCCCO3)c2n1.C[C@@H]1C[C@@H](N)CCN1c1cnc2c(n1)CN=C2N1CCCc2ncccc21.C[C@H]1CCN(c2cnc3c(I)nn(C4CCCCO4)c3n2)[C@H](C)C1.C[C@H]1CCN(c2cnc3c(N4CCCc5ncccc54)nn(C4CCCCO4)c3n2)[C@H](C)C1.Clc1cnc2c(I)nn(C3CCCCO3)c2n1.c1cnc2c(c1)NCCC2.

What is the InChIKey of 6-chloro-3-iodo-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazine;(2R,4S)-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,4S)-1-[7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]-2-methylpiperidin-4-amine;(2R)-2,4-dimethylpiperidine;6-[(2R,4S)-2,4-dimethylpiperidin-1-yl]-3-iodo-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazine;1-[6-[(2R,4S)-2,4-dimethylpiperidin-1-yl]-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-3-yl]-3,4-dihydro-2H-1,5-naphthyridine;1,2,3,4-tetrahydro-1,5-naphthyridine?

The InChIKey is AZIBIEHEQWGMIG-YWSAWIPHSA-N. The full InChI is InChI=1S/C25H33N7O.C24H32N8O.C20H25N7.C17H24IN5O.C10H10ClIN4O.C8H10N2.C7H15N/c1-17-10-13-30(18(2)15-17)21-16-27-23-24(28-21)32(22-9-3-4-14-33-22)29-25(23)31-12-6-7-19-20(31)8-5-11-26-19;1-16-14-17(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;1-13-10-14(21)6-9-26(13)18-12-23-19-16(25-18)11-24-20(19)27-8-3-4-15-17(27)5-2-7-22-15;1-11-6-7-22(12(2)9-11)13-10-19-15-16(18)21-23(17(15)20-13)14-5-3-4-8-24-14;11-6-5-13-8-9(12)15-16(10(8)14-6)7-3-1-2-4-17-7;1-3-7-8(9-5-1)4-2-6-10-7;1-6-3-4-8-7(2)5-6/h5,8,11,16-18,22H,3-4,6-7,9-10,12-15H2,1-2H3;4,7,10,15-17,21H,2-3,5-6,8-9,11-14,25H2,1H3;2,5,7,12-14H,3-4,6,8-11,21H2,1H3;10-12,14H,3-9H2,1-2H3;5,7H,1-4H2;1,3,5,10H,2,4,6H2;6-8H,3-5H2,1-2H3/t17-,18+,22?;16-,17+,21?;13-,14+;11-,12+,14?;;;6?,7-/m0110..1/s1.

What are the key properties of 6-chloro-3-iodo-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazine;(2R,4S)-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,4S)-1-[7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]-2-methylpiperidin-4-amine;(2R)-2,4-dimethylpiperidine;6-[(2R,4S)-2,4-dimethylpiperidin-1-yl]-3-iodo-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazine;1-[6-[(2R,4S)-2,4-dimethylpiperidin-1-yl]-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-3-yl]-3,4-dihydro-2H-1,5-naphthyridine;1,2,3,4-tetrahydro-1,5-naphthyridine?

6-chloro-3-iodo-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazine;(2R,4S)-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,4S)-1-[7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]-2-methylpiperidin-4-amine;(2R)-2,4-dimethylpiperidine;6-[(2R,4S)-2,4-dimethylpiperidin-1-yl]-3-iodo-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazine;1-[6-[(2R,4S)-2,4-dimethylpiperidin-1-yl]-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-3-yl]-3,4-dihydro-2H-1,5-naphthyridine;1,2,3,4-tetrahydro-1,5-naphthyridine has a molecular weight of 2312.91 g/mol, XLogP of 19.22, 10 rotatable bonds, 4 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-3-iodo-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazine;(2R,4S)-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,4S)-1-[7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]-2-methylpiperidin-4-amine;(2R)-2,4-dimethylpiperidine;6-[(2R,4S)-2,4-dimethylpiperidin-1-yl]-3-iodo-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazine;1-[6-[(2R,4S)-2,4-dimethylpiperidin-1-yl]-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-3-yl]-3,4-dihydro-2H-1,5-naphthyridine;1,2,3,4-tetrahydro-1,5-naphthyridine is sourced from PubChem (CID 157277980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).