6-[2-[6-(3-tert-butyl-1,2,4-triazol-1-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid

C20H23N5O2 — CID 59645829

IUPAC6-[2-[6-(3-tert-butyl-1,2,4-triazol-1-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid
SMILESCC(C)(C)c1ncn(-c2cccc(C(C)(C)c3cccc(C(=O)O)n3)n2)n1
InChIInChI=1S/C20H23N5O2/c1-19(2,3)18-21-12-25(24-18)16-11-7-10-15(23-16)20(4,5)14-9-6-8-13(22-14)17(26)27/h6-12H,1-5H3,(H,26,27)
InChIKeyXBNSHFGDTPIADL-UHFFFAOYSA-N
MW365.44 g/mol
LogP3.38
Rot. Bonds4

About 6-[2-[6-(3-tert-butyl-1,2,4-triazol-1-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid

6-[2-[6-(3-tert-butyl-1,2,4-triazol-1-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid (PubChem CID 59645829) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is 6-[2-[6-(3-tert-butyl-1,2,4-triazol-1-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[2-[6-(3-tert-butyl-1,2,4-triazol-1-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid
PubChem CID59645829
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC Name6-[2-[6-(3-tert-butyl-1,2,4-triazol-1-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid
SMILESCC(C)(C)c1ncn(-c2cccc(C(C)(C)c3cccc(C(=O)O)n3)n2)n1
InChIInChI=1S/C20H23N5O2/c1-19(2,3)18-21-12-25(24-18)16-11-7-10-15(23-16)20(4,5)14-9-6-8-13(22-14)17(26)27/h6-12H,1-5H3,(H,26,27)
InChIKeyXBNSHFGDTPIADL-UHFFFAOYSA-N
XLogP3.38
TPSA93.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-[2-[6-(3-tert-butyl-1,2,4-triazol-1-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

2-(Ethylcarbamoylamino)-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid
CID 44571955
3-Tert-butyl-1-[(6-pyrazol-1-yl-3-pyridinyl)methyl]pyrazole-5-carboxylic acid
CID 162669354
1-Propanone, 2-hydroxy-1,2-di-2-pyridinyl-3-(1H-1,2,4-triazol-1-yl)-
CID 3007581
1-Pyridin-2-yl-3-pyridin-3-ylpyrazole-5-carboxylic acid
CID 2999822
4-[4-(Diethylamino)phenyl]-1-phenyl-3-pyridin-3-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 57328408
4-[4-(Dimethylamino)phenyl]-1-phenyl-3-pyridin-3-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 57328412
1,4-Diphenyl-3-pyridin-3-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 57328488
6-(4-Methyl-3,5-diphenylpyrazol-1-yl)pyridine-2-carboxylic acid
CID 68329573
3-Cyclobutyl-4-[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126742549
2-Methyl-5-phenylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid
CID 19916195
1,3-dimethyl-1H-pyrazolo(3,4-b)pyridine-6-carboxylic acid
CID 61150426
6-(1H-1,2,4-triazol-1-yl)pyridine-2-carboxylic acid
CID 62253542

Frequently Asked Questions

What is the IUPAC name of 6-[2-[6-(3-tert-butyl-1,2,4-triazol-1-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[2-[6-(3-tert-butyl-1,2,4-triazol-1-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid (CID 59645829) is 6-[2-[6-(3-tert-butyl-1,2,4-triazol-1-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[2-[6-(3-tert-butyl-1,2,4-triazol-1-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[2-[6-(3-tert-butyl-1,2,4-triazol-1-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid is CC(C)(C)c1ncn(-c2cccc(C(C)(C)c3cccc(C(=O)O)n3)n2)n1.
What is the InChIKey of 6-[2-[6-(3-tert-butyl-1,2,4-triazol-1-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid?
The InChIKey is XBNSHFGDTPIADL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-19(2,3)18-21-12-25(24-18)16-11-7-10-15(23-16)20(4,5)14-9-6-8-13(22-14)17(26)27/h6-12H,1-5H3,(H,26,27).
What are the key properties of 6-[2-[6-(3-tert-butyl-1,2,4-triazol-1-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid?
6-[2-[6-(3-tert-butyl-1,2,4-triazol-1-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid has a molecular weight of 365.44 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[6-(3-tert-butyl-1,2,4-triazol-1-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid is sourced from PubChem (CID 59645829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).