6-[1-(1-ethoxyethyl)pyrazol-4-yl]-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-indole-2-carboxamide

C26H28N8O2 — CID 164622273

IUPAC6-[1-(1-ethoxyethyl)pyrazol-4-yl]-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-indole-2-carboxamide
SMILESCCOC(C)n1cc(-c2ccc3cc(C(=O)Nc4cccc(-c5nncn5C(C)C)n4)[nH]c3c2)cn1
InChIInChI=1S/C26H28N8O2/c1-5-36-17(4)34-14-20(13-28-34)18-9-10-19-12-23(29-22(19)11-18)26(35)31-24-8-6-7-21(30-24)25-32-27-15-33(25)16(2)3/h6-17,29H,5H2,1-4H3,(H,30,31,35)
InChIKeyHEURXYHRYWLVQH-UHFFFAOYSA-N
MW484.56 g/mol
LogP5.07
Rot. Bonds8

About 6-[1-(1-ethoxyethyl)pyrazol-4-yl]-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-indole-2-carboxamide

6-[1-(1-ethoxyethyl)pyrazol-4-yl]-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-indole-2-carboxamide (PubChem CID 164622273) has the molecular formula C26H28N8O2 and a molecular weight of 484.56 g/mol. Its IUPAC name is 6-[1-(1-ethoxyethyl)pyrazol-4-yl]-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name6-[1-(1-ethoxyethyl)pyrazol-4-yl]-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-indole-2-carboxamide
PubChem CID164622273
Molecular FormulaC26H28N8O2
Molecular Weight484.56 g/mol
Exact Mass484.23
IUPAC Name6-[1-(1-ethoxyethyl)pyrazol-4-yl]-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-indole-2-carboxamide
SMILESCCOC(C)n1cc(-c2ccc3cc(C(=O)Nc4cccc(-c5nncn5C(C)C)n4)[nH]c3c2)cn1
InChIInChI=1S/C26H28N8O2/c1-5-36-17(4)34-14-20(13-28-34)18-9-10-19-12-23(29-22(19)11-18)26(35)31-24-8-6-7-21(30-24)25-32-27-15-33(25)16(2)3/h6-17,29H,5H2,1-4H3,(H,30,31,35)
InChIKeyHEURXYHRYWLVQH-UHFFFAOYSA-N
XLogP5.07
TPSA115.54 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.56
LogP ≤ 55.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 6-[1-(1-ethoxyethyl)pyrazol-4-yl]-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-indole-2-carboxamide with MolForge

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Related Compounds

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N,1-dimethyl-5-[[4-[3-methyl-4-[[(3R)-pyrrolidin-3-yl]amino]pyrazol-1-yl]pyrimidin-2-yl]amino]indazole-3-carboxamide
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CID 53230343
2-[(1S)-1-[[5-(1H-indol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethyl]-5-methyl-3-phenylpyrrolo[2,1-f][1,2,4]triazin-4-one
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5-methyl-2-[(1S)-1-[[5-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethyl]-3-phenylpyrrolo[2,1-f][1,2,4]triazin-4-one
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(R)-3-Methyl-7-(5-methyl-2-((1-methyl-1H-pyrazol-5-yl)amino)pyrimidin-4-yl)-2-((6-methylpyridin-2-yl)methyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-1(2H)-one
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Frequently Asked Questions

What is the IUPAC name of 6-[1-(1-ethoxyethyl)pyrazol-4-yl]-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-indole-2-carboxamide?
The IUPAC name of 6-[1-(1-ethoxyethyl)pyrazol-4-yl]-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-indole-2-carboxamide (CID 164622273) is 6-[1-(1-ethoxyethyl)pyrazol-4-yl]-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 6-[1-(1-ethoxyethyl)pyrazol-4-yl]-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-indole-2-carboxamide?
The canonical SMILES for 6-[1-(1-ethoxyethyl)pyrazol-4-yl]-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-indole-2-carboxamide is CCOC(C)n1cc(-c2ccc3cc(C(=O)Nc4cccc(-c5nncn5C(C)C)n4)[nH]c3c2)cn1.
What is the InChIKey of 6-[1-(1-ethoxyethyl)pyrazol-4-yl]-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-indole-2-carboxamide?
The InChIKey is HEURXYHRYWLVQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N8O2/c1-5-36-17(4)34-14-20(13-28-34)18-9-10-19-12-23(29-22(19)11-18)26(35)31-24-8-6-7-21(30-24)25-32-27-15-33(25)16(2)3/h6-17,29H,5H2,1-4H3,(H,30,31,35).
What are the key properties of 6-[1-(1-ethoxyethyl)pyrazol-4-yl]-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-indole-2-carboxamide?
6-[1-(1-ethoxyethyl)pyrazol-4-yl]-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-indole-2-carboxamide has a molecular weight of 484.56 g/mol, XLogP of 5.07, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(1-ethoxyethyl)pyrazol-4-yl]-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 164622273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).