6-(1H-indazol-5-ylamino)-N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide

C26H26N8O3 — CID 134452871

About 6-(1H-indazol-5-ylamino)-N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide

6-(1H-indazol-5-ylamino)-N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide (PubChem CID 134452871) has the molecular formula C26H26N8O3 and a molecular weight of 498.55 g/mol. Its IUPAC name is 6-(1H-indazol-5-ylamino)-N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 6-(1H-indazol-5-ylamino)-N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide
• PubChem CID: 134452871
• Molecular Formula: C26H26N8O3
• Molecular Weight: 498.55 g/mol
• Exact Mass: 498.21
• IUPAC Name: 6-(1H-indazol-5-ylamino)-N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide
• SMILES: COCCOCCn1cc(NC(=O)c2cccc(Nc3ccc4[nH]ncc4c3)n2)c(-c2ccccn2)n1
• InChI: InChI=1S/C26H26N8O3/c1-36-13-14-37-12-11-34-17-23(25(33-34)21-5-2-3-10-27-21)31-26(35)22-6-4-7-24(30-22)29-19-8-9-20-18(15-19)16-28-32-20/h2-10,15-17H,11-14H2,1H3,(H,28,32)(H,29,30)(H,31,35)
• InChIKey: MPPIKNIKMWPIMW-UHFFFAOYSA-N
• XLogP: 3.88
• TPSA: 131.87 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 11
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	498.55
LogP ≤ 5	3.88
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-(1H-indazol-5-ylamino)-N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide?

The IUPAC name of 6-(1H-indazol-5-ylamino)-N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide (CID 134452871) is 6-(1H-indazol-5-ylamino)-N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide.

What is the SMILES notation for 6-(1H-indazol-5-ylamino)-N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide?

The canonical SMILES for 6-(1H-indazol-5-ylamino)-N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide is COCCOCCn1cc(NC(=O)c2cccc(Nc3ccc4[nH]ncc4c3)n2)c(-c2ccccn2)n1.

What is the InChIKey of 6-(1H-indazol-5-ylamino)-N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide?

The InChIKey is MPPIKNIKMWPIMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N8O3/c1-36-13-14-37-12-11-34-17-23(25(33-34)21-5-2-3-10-27-21)31-26(35)22-6-4-7-24(30-22)29-19-8-9-20-18(15-19)16-28-32-20/h2-10,15-17H,11-14H2,1H3,(H,28,32)(H,29,30)(H,31,35).

What are the key properties of 6-(1H-indazol-5-ylamino)-N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide?

6-(1H-indazol-5-ylamino)-N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide has a molecular weight of 498.55 g/mol, XLogP of 3.88, 11 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(1H-indazol-5-ylamino)-N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide is sourced from PubChem (CID 134452871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).