N-[2-cyclopropyl-3-iodophosphanyl-7-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide

C23H24IN8O2P — CID 142335046

About N-[2-cyclopropyl-3-iodophosphanyl-7-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide

N-[2-cyclopropyl-3-iodophosphanyl-7-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide (PubChem CID 142335046) has the molecular formula C23H24IN8O2P and a molecular weight of 602.38 g/mol. Its IUPAC name is N-[2-cyclopropyl-3-iodophosphanyl-7-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide.

Molecular Properties

• Compound Name: N-[2-cyclopropyl-3-iodophosphanyl-7-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide
• PubChem CID: 142335046
• Molecular Formula: C23H24IN8O2P
• Molecular Weight: 602.38 g/mol
• Exact Mass: 602.08
• IUPAC Name: N-[2-cyclopropyl-3-iodophosphanyl-7-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide
• SMILES: COc1c(Nc2cc(NC(=O)C3CC3)nc3c2nc(C2CC2)n3PI)cccc1-c1ncn(C)n1
• InChI: InChI=1S/C23H24IN8O2P/c1-31-11-25-20(30-31)14-4-3-5-15(19(14)34-2)26-16-10-17(28-23(33)13-8-9-13)27-22-18(16)29-21(12-6-7-12)32(22)35-24/h3-5,10-13,35H,6-9H2,1-2H3,(H2,26,27,28,33)
• InChIKey: YVPCSNXCMFJABT-UHFFFAOYSA-N
• XLogP: 5.00
• TPSA: 111.78 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	602.38
LogP ≤ 5	5.00
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-cyclopropyl-3-iodophosphanyl-7-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide?

The IUPAC name of N-[2-cyclopropyl-3-iodophosphanyl-7-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide (CID 142335046) is N-[2-cyclopropyl-3-iodophosphanyl-7-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide.

What is the SMILES notation for N-[2-cyclopropyl-3-iodophosphanyl-7-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide?

The canonical SMILES for N-[2-cyclopropyl-3-iodophosphanyl-7-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide is COc1c(Nc2cc(NC(=O)C3CC3)nc3c2nc(C2CC2)n3PI)cccc1-c1ncn(C)n1.

What is the InChIKey of N-[2-cyclopropyl-3-iodophosphanyl-7-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide?

The InChIKey is YVPCSNXCMFJABT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24IN8O2P/c1-31-11-25-20(30-31)14-4-3-5-15(19(14)34-2)26-16-10-17(28-23(33)13-8-9-13)27-22-18(16)29-21(12-6-7-12)32(22)35-24/h3-5,10-13,35H,6-9H2,1-2H3,(H2,26,27,28,33).

What are the key properties of N-[2-cyclopropyl-3-iodophosphanyl-7-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide?

N-[2-cyclopropyl-3-iodophosphanyl-7-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide has a molecular weight of 602.38 g/mol, XLogP of 5.00, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-cyclopropyl-3-iodophosphanyl-7-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide is sourced from PubChem (CID 142335046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).