1-[4-iodo-6-[3-(4-thiophen-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-2-pyridinyl]azetidin-3-amine

C24H18IN9S — CID 137088248

About 1-[4-iodo-6-[3-(4-thiophen-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-2-pyridinyl]azetidin-3-amine

1-[4-iodo-6-[3-(4-thiophen-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-2-pyridinyl]azetidin-3-amine (PubChem CID 137088248) has the molecular formula C24H18IN9S and a molecular weight of 591.44 g/mol. Its IUPAC name is 1-[4-iodo-6-[3-(4-thiophen-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-2-pyridinyl]azetidin-3-amine.

Molecular Properties

• Compound Name: 1-[4-iodo-6-[3-(4-thiophen-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-2-pyridinyl]azetidin-3-amine
• PubChem CID: 137088248
• Molecular Formula: C24H18IN9S
• Molecular Weight: 591.44 g/mol
• Exact Mass: 591.05
• IUPAC Name: 1-[4-iodo-6-[3-(4-thiophen-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-2-pyridinyl]azetidin-3-amine
• SMILES: NC1CN(c2cc(I)cc(-c3ccc4[nH]nc(-c5nc6c(-c7cccs7)nccc6[nH]5)c4n3)n2)C1
• InChI: InChI=1S/C24H18IN9S/c25-12-8-17(28-19(9-12)34-10-13(26)11-34)14-3-4-16-21(29-14)23(33-32-16)24-30-15-5-6-27-22(20(15)31-24)18-2-1-7-35-18/h1-9,13H,10-11,26H2,(H,30,31)(H,32,33)
• InChIKey: KZRIJVXQMBCGBX-UHFFFAOYSA-N
• XLogP: 4.44
• TPSA: 125.29 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	591.44
LogP ≤ 5	4.44
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[4-iodo-6-[3-(4-thiophen-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-2-pyridinyl]azetidin-3-amine?

The IUPAC name of 1-[4-iodo-6-[3-(4-thiophen-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-2-pyridinyl]azetidin-3-amine (CID 137088248) is 1-[4-iodo-6-[3-(4-thiophen-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-2-pyridinyl]azetidin-3-amine.

What is the SMILES notation for 1-[4-iodo-6-[3-(4-thiophen-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-2-pyridinyl]azetidin-3-amine?

The canonical SMILES for 1-[4-iodo-6-[3-(4-thiophen-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-2-pyridinyl]azetidin-3-amine is NC1CN(c2cc(I)cc(-c3ccc4[nH]nc(-c5nc6c(-c7cccs7)nccc6[nH]5)c4n3)n2)C1.

What is the InChIKey of 1-[4-iodo-6-[3-(4-thiophen-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-2-pyridinyl]azetidin-3-amine?

The InChIKey is KZRIJVXQMBCGBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18IN9S/c25-12-8-17(28-19(9-12)34-10-13(26)11-34)14-3-4-16-21(29-14)23(33-32-16)24-30-15-5-6-27-22(20(15)31-24)18-2-1-7-35-18/h1-9,13H,10-11,26H2,(H,30,31)(H,32,33).

What are the key properties of 1-[4-iodo-6-[3-(4-thiophen-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-2-pyridinyl]azetidin-3-amine?

1-[4-iodo-6-[3-(4-thiophen-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-2-pyridinyl]azetidin-3-amine has a molecular weight of 591.44 g/mol, XLogP of 4.44, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-iodo-6-[3-(4-thiophen-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-2-pyridinyl]azetidin-3-amine is sourced from PubChem (CID 137088248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).