[4-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]phenyl]-(3-methylpyrrolidin-1-yl)methanone

C26H24Cl2N4O2 — CID 135298138

About [4-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]phenyl]-(3-methylpyrrolidin-1-yl)methanone

[4-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]phenyl]-(3-methylpyrrolidin-1-yl)methanone (PubChem CID 135298138) has the molecular formula C26H24Cl2N4O2 and a molecular weight of 495.41 g/mol. Its IUPAC name is [4-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]phenyl]-(3-methylpyrrolidin-1-yl)methanone.

Molecular Properties

• Compound Name: [4-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]phenyl]-(3-methylpyrrolidin-1-yl)methanone
• PubChem CID: 135298138
• Molecular Formula: C26H24Cl2N4O2
• Molecular Weight: 495.41 g/mol
• Exact Mass: 494.13
• IUPAC Name: [4-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]phenyl]-(3-methylpyrrolidin-1-yl)methanone
• SMILES: CC1CCN(C(=O)c2ccc(-c3n[nH]c4ccc(OC(C)c5c(Cl)cncc5Cl)cc34)cc2)C1
• InChI: InChI=1S/C26H24Cl2N4O2/c1-15-9-10-32(14-15)26(33)18-5-3-17(4-6-18)25-20-11-19(7-8-23(20)30-31-25)34-16(2)24-21(27)12-29-13-22(24)28/h3-8,11-13,15-16H,9-10,14H2,1-2H3,(H,30,31)
• InChIKey: KOLMUBIQXJACSZ-UHFFFAOYSA-N
• XLogP: 6.55
• TPSA: 71.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	495.41
LogP ≤ 5	6.55
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of [4-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]phenyl]-(3-methylpyrrolidin-1-yl)methanone?

The IUPAC name of [4-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]phenyl]-(3-methylpyrrolidin-1-yl)methanone (CID 135298138) is [4-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]phenyl]-(3-methylpyrrolidin-1-yl)methanone.

What is the SMILES notation for [4-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]phenyl]-(3-methylpyrrolidin-1-yl)methanone?

The canonical SMILES for [4-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]phenyl]-(3-methylpyrrolidin-1-yl)methanone is CC1CCN(C(=O)c2ccc(-c3n[nH]c4ccc(OC(C)c5c(Cl)cncc5Cl)cc34)cc2)C1.

What is the InChIKey of [4-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]phenyl]-(3-methylpyrrolidin-1-yl)methanone?

The InChIKey is KOLMUBIQXJACSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24Cl2N4O2/c1-15-9-10-32(14-15)26(33)18-5-3-17(4-6-18)25-20-11-19(7-8-23(20)30-31-25)34-16(2)24-21(27)12-29-13-22(24)28/h3-8,11-13,15-16H,9-10,14H2,1-2H3,(H,30,31).

What are the key properties of [4-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]phenyl]-(3-methylpyrrolidin-1-yl)methanone?

[4-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]phenyl]-(3-methylpyrrolidin-1-yl)methanone has a molecular weight of 495.41 g/mol, XLogP of 6.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]phenyl]-(3-methylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 135298138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).