6-[2-[2-[5-bromo-2-[4-(hydroxymethyl)cyclohexyl]indazol-6-yl]oxyethoxy]ethoxy]pyridine-2-carboxamide

C24H29BrN4O5 — CID 155437581

IUPAC6-[2-[2-[5-bromo-2-[4-(hydroxymethyl)cyclohexyl]indazol-6-yl]oxyethoxy]ethoxy]pyridine-2-carboxamide
SMILESNC(=O)c1cccc(OCCOCCOc2cc3nn(C4CCC(CO)CC4)cc3cc2Br)n1
InChIInChI=1S/C24H29BrN4O5/c25-19-12-17-14-29(18-6-4-16(15-30)5-7-18)28-21(17)13-22(19)33-10-8-32-9-11-34-23-3-1-2-20(27-23)24(26)31/h1-3,12-14,16,18,30H,4-11,15H2,(H2,26,31)
InChIKeyRDWGDILMUIYVQI-UHFFFAOYSA-N
MW533.42 g/mol
LogP3.49
Rot. Bonds11

About 6-[2-[2-[5-bromo-2-[4-(hydroxymethyl)cyclohexyl]indazol-6-yl]oxyethoxy]ethoxy]pyridine-2-carboxamide

6-[2-[2-[5-bromo-2-[4-(hydroxymethyl)cyclohexyl]indazol-6-yl]oxyethoxy]ethoxy]pyridine-2-carboxamide (PubChem CID 155437581) has the molecular formula C24H29BrN4O5 and a molecular weight of 533.42 g/mol. Its IUPAC name is 6-[2-[2-[5-bromo-2-[4-(hydroxymethyl)cyclohexyl]indazol-6-yl]oxyethoxy]ethoxy]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-[2-[2-[5-bromo-2-[4-(hydroxymethyl)cyclohexyl]indazol-6-yl]oxyethoxy]ethoxy]pyridine-2-carboxamide
PubChem CID155437581
Molecular FormulaC24H29BrN4O5
Molecular Weight533.42 g/mol
Exact Mass532.13
IUPAC Name6-[2-[2-[5-bromo-2-[4-(hydroxymethyl)cyclohexyl]indazol-6-yl]oxyethoxy]ethoxy]pyridine-2-carboxamide
SMILESNC(=O)c1cccc(OCCOCCOc2cc3nn(C4CCC(CO)CC4)cc3cc2Br)n1
InChIInChI=1S/C24H29BrN4O5/c25-19-12-17-14-29(18-6-4-16(15-30)5-7-18)28-21(17)13-22(19)33-10-8-32-9-11-34-23-3-1-2-20(27-23)24(26)31/h1-3,12-14,16,18,30H,4-11,15H2,(H2,26,31)
InChIKeyRDWGDILMUIYVQI-UHFFFAOYSA-N
XLogP3.49
TPSA121.72 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500533.42
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[2-[5-bromo-2-[4-(hydroxymethyl)cyclohexyl]indazol-6-yl]oxyethoxy]ethoxy]pyridine-2-carboxamide?
The IUPAC name of 6-[2-[2-[5-bromo-2-[4-(hydroxymethyl)cyclohexyl]indazol-6-yl]oxyethoxy]ethoxy]pyridine-2-carboxamide (CID 155437581) is 6-[2-[2-[5-bromo-2-[4-(hydroxymethyl)cyclohexyl]indazol-6-yl]oxyethoxy]ethoxy]pyridine-2-carboxamide.
What is the SMILES notation for 6-[2-[2-[5-bromo-2-[4-(hydroxymethyl)cyclohexyl]indazol-6-yl]oxyethoxy]ethoxy]pyridine-2-carboxamide?
The canonical SMILES for 6-[2-[2-[5-bromo-2-[4-(hydroxymethyl)cyclohexyl]indazol-6-yl]oxyethoxy]ethoxy]pyridine-2-carboxamide is NC(=O)c1cccc(OCCOCCOc2cc3nn(C4CCC(CO)CC4)cc3cc2Br)n1.
What is the InChIKey of 6-[2-[2-[5-bromo-2-[4-(hydroxymethyl)cyclohexyl]indazol-6-yl]oxyethoxy]ethoxy]pyridine-2-carboxamide?
The InChIKey is RDWGDILMUIYVQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29BrN4O5/c25-19-12-17-14-29(18-6-4-16(15-30)5-7-18)28-21(17)13-22(19)33-10-8-32-9-11-34-23-3-1-2-20(27-23)24(26)31/h1-3,12-14,16,18,30H,4-11,15H2,(H2,26,31).
What are the key properties of 6-[2-[2-[5-bromo-2-[4-(hydroxymethyl)cyclohexyl]indazol-6-yl]oxyethoxy]ethoxy]pyridine-2-carboxamide?
6-[2-[2-[5-bromo-2-[4-(hydroxymethyl)cyclohexyl]indazol-6-yl]oxyethoxy]ethoxy]pyridine-2-carboxamide has a molecular weight of 533.42 g/mol, XLogP of 3.49, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[2-[5-bromo-2-[4-(hydroxymethyl)cyclohexyl]indazol-6-yl]oxyethoxy]ethoxy]pyridine-2-carboxamide is sourced from PubChem (CID 155437581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).