6-(2-ethyl-4-hydroxyphenyl)-N-(6-methyl-3-pyridinyl)-1H-indazole-3-carboxamide

C22H20N4O2 — CID 135567295

IUPAC6-(2-ethyl-4-hydroxyphenyl)-N-(6-methyl-3-pyridinyl)-1H-indazole-3-carboxamide
SMILESCCc1cc(O)ccc1-c1ccc2c(C(=O)Nc3ccc(C)nc3)n[nH]c2c1
InChIInChI=1S/C22H20N4O2/c1-3-14-10-17(27)7-9-18(14)15-5-8-19-20(11-15)25-26-21(19)22(28)24-16-6-4-13(2)23-12-16/h4-12,27H,3H2,1-2H3,(H,24,28)(H,25,26)
InChIKeyCUKXYSDQFPFABZ-UHFFFAOYSA-N
MW372.43 g/mol
LogP4.45
Rot. Bonds4

About 6-(2-ethyl-4-hydroxyphenyl)-N-(6-methyl-3-pyridinyl)-1H-indazole-3-carboxamide

6-(2-ethyl-4-hydroxyphenyl)-N-(6-methyl-3-pyridinyl)-1H-indazole-3-carboxamide (PubChem CID 135567295) has the molecular formula C22H20N4O2 and a molecular weight of 372.43 g/mol. Its IUPAC name is 6-(2-ethyl-4-hydroxyphenyl)-N-(6-methyl-3-pyridinyl)-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name6-(2-ethyl-4-hydroxyphenyl)-N-(6-methyl-3-pyridinyl)-1H-indazole-3-carboxamide
PubChem CID135567295
Molecular FormulaC22H20N4O2
Molecular Weight372.43 g/mol
Exact Mass372.16
IUPAC Name6-(2-ethyl-4-hydroxyphenyl)-N-(6-methyl-3-pyridinyl)-1H-indazole-3-carboxamide
SMILESCCc1cc(O)ccc1-c1ccc2c(C(=O)Nc3ccc(C)nc3)n[nH]c2c1
InChIInChI=1S/C22H20N4O2/c1-3-14-10-17(27)7-9-18(14)15-5-8-19-20(11-15)25-26-21(19)22(28)24-16-6-4-13(2)23-12-16/h4-12,27H,3H2,1-2H3,(H,24,28)(H,25,26)
InChIKeyCUKXYSDQFPFABZ-UHFFFAOYSA-N
XLogP4.45
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 54.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2-ethyl-4-hydroxyphenyl)-N-(6-methyl-3-pyridinyl)-1H-indazole-3-carboxamide?
The IUPAC name of 6-(2-ethyl-4-hydroxyphenyl)-N-(6-methyl-3-pyridinyl)-1H-indazole-3-carboxamide (CID 135567295) is 6-(2-ethyl-4-hydroxyphenyl)-N-(6-methyl-3-pyridinyl)-1H-indazole-3-carboxamide.
What is the SMILES notation for 6-(2-ethyl-4-hydroxyphenyl)-N-(6-methyl-3-pyridinyl)-1H-indazole-3-carboxamide?
The canonical SMILES for 6-(2-ethyl-4-hydroxyphenyl)-N-(6-methyl-3-pyridinyl)-1H-indazole-3-carboxamide is CCc1cc(O)ccc1-c1ccc2c(C(=O)Nc3ccc(C)nc3)n[nH]c2c1.
What is the InChIKey of 6-(2-ethyl-4-hydroxyphenyl)-N-(6-methyl-3-pyridinyl)-1H-indazole-3-carboxamide?
The InChIKey is CUKXYSDQFPFABZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O2/c1-3-14-10-17(27)7-9-18(14)15-5-8-19-20(11-15)25-26-21(19)22(28)24-16-6-4-13(2)23-12-16/h4-12,27H,3H2,1-2H3,(H,24,28)(H,25,26).
What are the key properties of 6-(2-ethyl-4-hydroxyphenyl)-N-(6-methyl-3-pyridinyl)-1H-indazole-3-carboxamide?
6-(2-ethyl-4-hydroxyphenyl)-N-(6-methyl-3-pyridinyl)-1H-indazole-3-carboxamide has a molecular weight of 372.43 g/mol, XLogP of 4.45, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-ethyl-4-hydroxyphenyl)-N-(6-methyl-3-pyridinyl)-1H-indazole-3-carboxamide is sourced from PubChem (CID 135567295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).