3-iodo-1-methyl-4-(oxan-4-yloxy)pyrazolo[4,3-c]pyridine;[4-[1-methyl-4-(oxan-4-yloxy)pyrazolo[4,3-c]pyridin-3-yl]phenyl]-morpholin-4-ylmethanone;morpholin-4-yl-[4-[4-(oxan-4-yloxy)-1H-pyrrolo[3,4-c]pyridin-3-yl]phenyl]methanone

C58H65IN10O10 — CID 159080527

About 3-iodo-1-methyl-4-(oxan-4-yloxy)pyrazolo[4,3-c]pyridine;[4-[1-methyl-4-(oxan-4-yloxy)pyrazolo[4,3-c]pyridin-3-yl]phenyl]-morpholin-4-ylmethanone;morpholin-4-yl-[4-[4-(oxan-4-yloxy)-1H-pyrrolo[3,4-c]pyridin-3-yl]phenyl]methanone

3-iodo-1-methyl-4-(oxan-4-yloxy)pyrazolo[4,3-c]pyridine;[4-[1-methyl-4-(oxan-4-yloxy)pyrazolo[4,3-c]pyridin-3-yl]phenyl]-morpholin-4-ylmethanone;morpholin-4-yl-[4-[4-(oxan-4-yloxy)-1H-pyrrolo[3,4-c]pyridin-3-yl]phenyl]methanone (PubChem CID 159080527) has the molecular formula C58H65IN10O10 and a molecular weight of 1189.12 g/mol. Its IUPAC name is 3-iodo-1-methyl-4-(oxan-4-yloxy)pyrazolo[4,3-c]pyridine;[4-[1-methyl-4-(oxan-4-yloxy)pyrazolo[4,3-c]pyridin-3-yl]phenyl]-morpholin-4-ylmethanone;morpholin-4-yl-[4-[4-(oxan-4-yloxy)-1H-pyrrolo[3,4-c]pyridin-3-yl]phenyl]methanone.

Molecular Properties

• Compound Name: 3-iodo-1-methyl-4-(oxan-4-yloxy)pyrazolo[4,3-c]pyridine;[4-[1-methyl-4-(oxan-4-yloxy)pyrazolo[4,3-c]pyridin-3-yl]phenyl]-morpholin-4-ylmethanone;morpholin-4-yl-[4-[4-(oxan-4-yloxy)-1H-pyrrolo[3,4-c]pyridin-3-yl]phenyl]methanone
• PubChem CID: 159080527
• Molecular Formula: C58H65IN10O10
• Molecular Weight: 1189.12 g/mol
• Exact Mass: 1188.39
• IUPAC Name: 3-iodo-1-methyl-4-(oxan-4-yloxy)pyrazolo[4,3-c]pyridine;[4-[1-methyl-4-(oxan-4-yloxy)pyrazolo[4,3-c]pyridin-3-yl]phenyl]-morpholin-4-ylmethanone;morpholin-4-yl-[4-[4-(oxan-4-yloxy)-1H-pyrrolo[3,4-c]pyridin-3-yl]phenyl]methanone
• SMILES: Cn1nc(-c2ccc(C(=O)N3CCOCC3)cc2)c2c(OC3CCOCC3)nccc21.Cn1nc(I)c2c(OC3CCOCC3)nccc21.O=C(c1ccc(C2=NCc3ccnc(OC4CCOCC4)c32)cc1)N1CCOCC1
• InChI: InChI=1S/C23H26N4O4.C23H25N3O4.C12H14IN3O2/c1-26-19-6-9-24-22(31-18-7-12-29-13-8-18)20(19)21(25-26)16-2-4-17(5-3-16)23(28)27-10-14-30-15-11-27;27-23(26-9-13-29-14-10-26)17-3-1-16(2-4-17)21-20-18(15-25-21)5-8-24-22(20)30-19-6-11-28-12-7-19;1-16-9-2-5-14-12(10(9)11(13)15-16)18-8-3-6-17-7-4-8/h2-6,9,18H,7-8,10-15H2,1H3;1-5,8,19H,6-7,9-15H2;2,5,8H,3-4,6-7H2,1H3
• InChIKey: KAUIYSVRWSCIST-UHFFFAOYSA-N
• XLogP: 7.26
• TPSA: 201.13 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 10
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1189.12
LogP ≤ 5	7.26
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-iodo-1-methyl-4-(oxan-4-yloxy)pyrazolo[4,3-c]pyridine;[4-[1-methyl-4-(oxan-4-yloxy)pyrazolo[4,3-c]pyridin-3-yl]phenyl]-morpholin-4-ylmethanone;morpholin-4-yl-[4-[4-(oxan-4-yloxy)-1H-pyrrolo[3,4-c]pyridin-3-yl]phenyl]methanone?

The IUPAC name of 3-iodo-1-methyl-4-(oxan-4-yloxy)pyrazolo[4,3-c]pyridine;[4-[1-methyl-4-(oxan-4-yloxy)pyrazolo[4,3-c]pyridin-3-yl]phenyl]-morpholin-4-ylmethanone;morpholin-4-yl-[4-[4-(oxan-4-yloxy)-1H-pyrrolo[3,4-c]pyridin-3-yl]phenyl]methanone (CID 159080527) is 3-iodo-1-methyl-4-(oxan-4-yloxy)pyrazolo[4,3-c]pyridine;[4-[1-methyl-4-(oxan-4-yloxy)pyrazolo[4,3-c]pyridin-3-yl]phenyl]-morpholin-4-ylmethanone;morpholin-4-yl-[4-[4-(oxan-4-yloxy)-1H-pyrrolo[3,4-c]pyridin-3-yl]phenyl]methanone.

What is the SMILES notation for 3-iodo-1-methyl-4-(oxan-4-yloxy)pyrazolo[4,3-c]pyridine;[4-[1-methyl-4-(oxan-4-yloxy)pyrazolo[4,3-c]pyridin-3-yl]phenyl]-morpholin-4-ylmethanone;morpholin-4-yl-[4-[4-(oxan-4-yloxy)-1H-pyrrolo[3,4-c]pyridin-3-yl]phenyl]methanone?

The canonical SMILES for 3-iodo-1-methyl-4-(oxan-4-yloxy)pyrazolo[4,3-c]pyridine;[4-[1-methyl-4-(oxan-4-yloxy)pyrazolo[4,3-c]pyridin-3-yl]phenyl]-morpholin-4-ylmethanone;morpholin-4-yl-[4-[4-(oxan-4-yloxy)-1H-pyrrolo[3,4-c]pyridin-3-yl]phenyl]methanone is Cn1nc(-c2ccc(C(=O)N3CCOCC3)cc2)c2c(OC3CCOCC3)nccc21.Cn1nc(I)c2c(OC3CCOCC3)nccc21.O=C(c1ccc(C2=NCc3ccnc(OC4CCOCC4)c32)cc1)N1CCOCC1.

What is the InChIKey of 3-iodo-1-methyl-4-(oxan-4-yloxy)pyrazolo[4,3-c]pyridine;[4-[1-methyl-4-(oxan-4-yloxy)pyrazolo[4,3-c]pyridin-3-yl]phenyl]-morpholin-4-ylmethanone;morpholin-4-yl-[4-[4-(oxan-4-yloxy)-1H-pyrrolo[3,4-c]pyridin-3-yl]phenyl]methanone?

The InChIKey is KAUIYSVRWSCIST-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O4.C23H25N3O4.C12H14IN3O2/c1-26-19-6-9-24-22(31-18-7-12-29-13-8-18)20(19)21(25-26)16-2-4-17(5-3-16)23(28)27-10-14-30-15-11-27;27-23(26-9-13-29-14-10-26)17-3-1-16(2-4-17)21-20-18(15-25-21)5-8-24-22(20)30-19-6-11-28-12-7-19;1-16-9-2-5-14-12(10(9)11(13)15-16)18-8-3-6-17-7-4-8/h2-6,9,18H,7-8,10-15H2,1H3;1-5,8,19H,6-7,9-15H2;2,5,8H,3-4,6-7H2,1H3.

What are the key properties of 3-iodo-1-methyl-4-(oxan-4-yloxy)pyrazolo[4,3-c]pyridine;[4-[1-methyl-4-(oxan-4-yloxy)pyrazolo[4,3-c]pyridin-3-yl]phenyl]-morpholin-4-ylmethanone;morpholin-4-yl-[4-[4-(oxan-4-yloxy)-1H-pyrrolo[3,4-c]pyridin-3-yl]phenyl]methanone?

3-iodo-1-methyl-4-(oxan-4-yloxy)pyrazolo[4,3-c]pyridine;[4-[1-methyl-4-(oxan-4-yloxy)pyrazolo[4,3-c]pyridin-3-yl]phenyl]-morpholin-4-ylmethanone;morpholin-4-yl-[4-[4-(oxan-4-yloxy)-1H-pyrrolo[3,4-c]pyridin-3-yl]phenyl]methanone has a molecular weight of 1189.12 g/mol, XLogP of 7.26, 10 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 3-iodo-1-methyl-4-(oxan-4-yloxy)pyrazolo[4,3-c]pyridine;[4-[1-methyl-4-(oxan-4-yloxy)pyrazolo[4,3-c]pyridin-3-yl]phenyl]-morpholin-4-ylmethanone;morpholin-4-yl-[4-[4-(oxan-4-yloxy)-1H-pyrrolo[3,4-c]pyridin-3-yl]phenyl]methanone is sourced from PubChem (CID 159080527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).