3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1-(oxan-2-yl)-7H-pyrazolo[4,5-b]pyrazin-6-one;3-iodo-6-methyl-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazine;7-iodo-3-methyl-5H-pyrrolo[3,4-b]pyrazine;methane;bis(1-[6-methyl-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-3-yl]-3,4-dihydro-2H-1,5-naphthyridine);5,6,7,8-tetrahydroquinoline

C84H98I2N26O5 — CID 167608543

About 3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1-(oxan-2-yl)-7H-pyrazolo[4,5-b]pyrazin-6-one;3-iodo-6-methyl-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazine;7-iodo-3-methyl-5H-pyrrolo[3,4-b]pyrazine;methane;bis(1-[6-methyl-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-3-yl]-3,4-dihydro-2H-1,5-naphthyridine);5,6,7,8-tetrahydroquinoline

3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1-(oxan-2-yl)-7H-pyrazolo[4,5-b]pyrazin-6-one;3-iodo-6-methyl-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazine;7-iodo-3-methyl-5H-pyrrolo[3,4-b]pyrazine;methane;bis(1-[6-methyl-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-3-yl]-3,4-dihydro-2H-1,5-naphthyridine);5,6,7,8-tetrahydroquinoline (PubChem CID 167608543) has the molecular formula C84H98I2N26O5 and a molecular weight of 1805.69 g/mol. Its IUPAC name is 3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1-(oxan-2-yl)-7H-pyrazolo[4,5-b]pyrazin-6-one;3-iodo-6-methyl-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazine;7-iodo-3-methyl-5H-pyrrolo[3,4-b]pyrazine;methane;bis(1-[6-methyl-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-3-yl]-3,4-dihydro-2H-1,5-naphthyridine);5,6,7,8-tetrahydroquinoline.

Molecular Properties

• Compound Name: 3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1-(oxan-2-yl)-7H-pyrazolo[4,5-b]pyrazin-6-one;3-iodo-6-methyl-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazine;7-iodo-3-methyl-5H-pyrrolo[3,4-b]pyrazine;methane;bis(1-[6-methyl-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-3-yl]-3,4-dihydro-2H-1,5-naphthyridine);5,6,7,8-tetrahydroquinoline
• PubChem CID: 167608543
• Molecular Formula: C84H98I2N26O5
• Molecular Weight: 1805.69 g/mol
• Exact Mass: 1804.63
• IUPAC Name: 3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1-(oxan-2-yl)-7H-pyrazolo[4,5-b]pyrazin-6-one;3-iodo-6-methyl-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazine;7-iodo-3-methyl-5H-pyrrolo[3,4-b]pyrazine;methane;bis(1-[6-methyl-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-3-yl]-3,4-dihydro-2H-1,5-naphthyridine);5,6,7,8-tetrahydroquinoline
• SMILES: C.Cc1cnc2c(I)nn(C3CCCCO3)c2n1.Cc1cnc2c(N3CCCc4ncccc43)nn(C3CCCCO3)c2n1.Cc1cnc2c(N3CCCc4ncccc43)nn(C3CCCCO3)c2n1.Cc1cnc2c(n1)CN=C2I.O=c1cnc2c(N3CCCc4ncccc43)nn(C3CCCCO3)c2[nH]1.c1cnc2c(c1)CCCC2
• InChI: InChI=1S/2C19H22N6O.C18H20N6O2.C11H13IN4O.C9H11N.C7H6IN3.CH4/c2*1-13-12-21-17-18(22-13)25(16-8-2-3-11-26-16)23-19(17)24-10-5-6-14-15(24)7-4-9-20-14;25-14-11-20-16-17(21-14)24(15-7-1-2-10-26-15)22-18(16)23-9-4-5-12-13(23)6-3-8-19-12;1-7-6-13-9-10(12)15-16(11(9)14-7)8-4-2-3-5-17-8;1-2-6-9-8(4-1)5-3-7-10-9;1-4-2-9-6-5(11-4)3-10-7(6)8;/h2*4,7,9,12,16H,2-3,5-6,8,10-11H2,1H3;3,6,8,11,15H,1-2,4-5,7,9-10H2,(H,21,25);6,8H,2-5H2,1H3;3,5,7H,1-2,4,6H2;2H,3H2,1H3;1H4
• InChIKey: KSHQNBQAOONARV-UHFFFAOYSA-N
• XLogP: 15.44
• TPSA: 330.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 30
• Rotatable Bonds: 7
• Heavy Atoms: 117
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1805.69
LogP ≤ 5	15.44
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1-(oxan-2-yl)-7H-pyrazolo[4,5-b]pyrazin-6-one;3-iodo-6-methyl-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazine;7-iodo-3-methyl-5H-pyrrolo[3,4-b]pyrazine;methane;bis(1-[6-methyl-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-3-yl]-3,4-dihydro-2H-1,5-naphthyridine);5,6,7,8-tetrahydroquinoline?

The IUPAC name of 3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1-(oxan-2-yl)-7H-pyrazolo[4,5-b]pyrazin-6-one;3-iodo-6-methyl-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazine;7-iodo-3-methyl-5H-pyrrolo[3,4-b]pyrazine;methane;bis(1-[6-methyl-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-3-yl]-3,4-dihydro-2H-1,5-naphthyridine);5,6,7,8-tetrahydroquinoline (CID 167608543) is 3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1-(oxan-2-yl)-7H-pyrazolo[4,5-b]pyrazin-6-one;3-iodo-6-methyl-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazine;7-iodo-3-methyl-5H-pyrrolo[3,4-b]pyrazine;methane;bis(1-[6-methyl-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-3-yl]-3,4-dihydro-2H-1,5-naphthyridine);5,6,7,8-tetrahydroquinoline.

What is the SMILES notation for 3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1-(oxan-2-yl)-7H-pyrazolo[4,5-b]pyrazin-6-one;3-iodo-6-methyl-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazine;7-iodo-3-methyl-5H-pyrrolo[3,4-b]pyrazine;methane;bis(1-[6-methyl-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-3-yl]-3,4-dihydro-2H-1,5-naphthyridine);5,6,7,8-tetrahydroquinoline?

The canonical SMILES for 3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1-(oxan-2-yl)-7H-pyrazolo[4,5-b]pyrazin-6-one;3-iodo-6-methyl-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazine;7-iodo-3-methyl-5H-pyrrolo[3,4-b]pyrazine;methane;bis(1-[6-methyl-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-3-yl]-3,4-dihydro-2H-1,5-naphthyridine);5,6,7,8-tetrahydroquinoline is C.Cc1cnc2c(I)nn(C3CCCCO3)c2n1.Cc1cnc2c(N3CCCc4ncccc43)nn(C3CCCCO3)c2n1.Cc1cnc2c(N3CCCc4ncccc43)nn(C3CCCCO3)c2n1.Cc1cnc2c(n1)CN=C2I.O=c1cnc2c(N3CCCc4ncccc43)nn(C3CCCCO3)c2[nH]1.c1cnc2c(c1)CCCC2.

What is the InChIKey of 3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1-(oxan-2-yl)-7H-pyrazolo[4,5-b]pyrazin-6-one;3-iodo-6-methyl-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazine;7-iodo-3-methyl-5H-pyrrolo[3,4-b]pyrazine;methane;bis(1-[6-methyl-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-3-yl]-3,4-dihydro-2H-1,5-naphthyridine);5,6,7,8-tetrahydroquinoline?

The InChIKey is KSHQNBQAOONARV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C19H22N6O.C18H20N6O2.C11H13IN4O.C9H11N.C7H6IN3.CH4/c2*1-13-12-21-17-18(22-13)25(16-8-2-3-11-26-16)23-19(17)24-10-5-6-14-15(24)7-4-9-20-14;25-14-11-20-16-17(21-14)24(15-7-1-2-10-26-15)22-18(16)23-9-4-5-12-13(23)6-3-8-19-12;1-7-6-13-9-10(12)15-16(11(9)14-7)8-4-2-3-5-17-8;1-2-6-9-8(4-1)5-3-7-10-9;1-4-2-9-6-5(11-4)3-10-7(6)8;/h2*4,7,9,12,16H,2-3,5-6,8,10-11H2,1H3;3,6,8,11,15H,1-2,4-5,7,9-10H2,(H,21,25);6,8H,2-5H2,1H3;3,5,7H,1-2,4,6H2;2H,3H2,1H3;1H4.

What are the key properties of 3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1-(oxan-2-yl)-7H-pyrazolo[4,5-b]pyrazin-6-one;3-iodo-6-methyl-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazine;7-iodo-3-methyl-5H-pyrrolo[3,4-b]pyrazine;methane;bis(1-[6-methyl-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-3-yl]-3,4-dihydro-2H-1,5-naphthyridine);5,6,7,8-tetrahydroquinoline?

3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1-(oxan-2-yl)-7H-pyrazolo[4,5-b]pyrazin-6-one;3-iodo-6-methyl-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazine;7-iodo-3-methyl-5H-pyrrolo[3,4-b]pyrazine;methane;bis(1-[6-methyl-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-3-yl]-3,4-dihydro-2H-1,5-naphthyridine);5,6,7,8-tetrahydroquinoline has a molecular weight of 1805.69 g/mol, XLogP of 15.44, 7 rotatable bonds, 1 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1-(oxan-2-yl)-7H-pyrazolo[4,5-b]pyrazin-6-one;3-iodo-6-methyl-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazine;7-iodo-3-methyl-5H-pyrrolo[3,4-b]pyrazine;methane;bis(1-[6-methyl-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-3-yl]-3,4-dihydro-2H-1,5-naphthyridine);5,6,7,8-tetrahydroquinoline is sourced from PubChem (CID 167608543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).