N-tert-butyl-2-(2-tert-butylpyrazol-3-yl)-6-(4-chloro-3-fluorophenyl)pyridine-4-carboxamide;N-tert-butyl-2-(2-tert-butylpyrazol-3-yl)-6-(4-methoxyphenyl)pyridine-4-carboxamide

C47H56ClFN8O3 — CID 159712176

IUPACN-tert-butyl-2-(2-tert-butylpyrazol-3-yl)-6-(4-chloro-3-fluorophenyl)pyridine-4-carboxamide;N-tert-butyl-2-(2-tert-butylpyrazol-3-yl)-6-(4-methoxyphenyl)pyridine-4-carboxamide
SMILESCC(C)(C)NC(=O)c1cc(-c2ccc(Cl)c(F)c2)nc(-c2ccnn2C(C)(C)C)c1.COc1ccc(-c2cc(C(=O)NC(C)(C)C)cc(-c3ccnn3C(C)(C)C)n2)cc1
InChIInChI=1S/C24H30N4O2.C23H26ClFN4O/c1-23(2,3)27-22(29)17-14-19(16-8-10-18(30-7)11-9-16)26-20(15-17)21-12-13-25-28(21)24(4,5)6;1-22(2,3)28-21(30)15-12-18(14-7-8-16(24)17(25)11-14)27-19(13-15)20-9-10-26-29(20)23(4,5)6/h8-15H,1-7H3,(H,27,29);7-13H,1-6H3,(H,28,30)
InChIKeyMYZBFIQNFORJCU-UHFFFAOYSA-N
MW835.47 g/mol
LogP10.59
Rot. Bonds7

About N-tert-butyl-2-(2-tert-butylpyrazol-3-yl)-6-(4-chloro-3-fluorophenyl)pyridine-4-carboxamide;N-tert-butyl-2-(2-tert-butylpyrazol-3-yl)-6-(4-methoxyphenyl)pyridine-4-carboxamide

N-tert-butyl-2-(2-tert-butylpyrazol-3-yl)-6-(4-chloro-3-fluorophenyl)pyridine-4-carboxamide;N-tert-butyl-2-(2-tert-butylpyrazol-3-yl)-6-(4-methoxyphenyl)pyridine-4-carboxamide (PubChem CID 159712176) has the molecular formula C47H56ClFN8O3 and a molecular weight of 835.47 g/mol. Its IUPAC name is N-tert-butyl-2-(2-tert-butylpyrazol-3-yl)-6-(4-chloro-3-fluorophenyl)pyridine-4-carboxamide;N-tert-butyl-2-(2-tert-butylpyrazol-3-yl)-6-(4-methoxyphenyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-2-(2-tert-butylpyrazol-3-yl)-6-(4-chloro-3-fluorophenyl)pyridine-4-carboxamide;N-tert-butyl-2-(2-tert-butylpyrazol-3-yl)-6-(4-methoxyphenyl)pyridine-4-carboxamide
PubChem CID159712176
Molecular FormulaC47H56ClFN8O3
Molecular Weight835.47 g/mol
Exact Mass834.41
IUPAC NameN-tert-butyl-2-(2-tert-butylpyrazol-3-yl)-6-(4-chloro-3-fluorophenyl)pyridine-4-carboxamide;N-tert-butyl-2-(2-tert-butylpyrazol-3-yl)-6-(4-methoxyphenyl)pyridine-4-carboxamide
SMILESCC(C)(C)NC(=O)c1cc(-c2ccc(Cl)c(F)c2)nc(-c2ccnn2C(C)(C)C)c1.COc1ccc(-c2cc(C(=O)NC(C)(C)C)cc(-c3ccnn3C(C)(C)C)n2)cc1
InChIInChI=1S/C24H30N4O2.C23H26ClFN4O/c1-23(2,3)27-22(29)17-14-19(16-8-10-18(30-7)11-9-16)26-20(15-17)21-12-13-25-28(21)24(4,5)6;1-22(2,3)28-21(30)15-12-18(14-7-8-16(24)17(25)11-14)27-19(13-15)20-9-10-26-29(20)23(4,5)6/h8-15H,1-7H3,(H,27,29);7-13H,1-6H3,(H,28,30)
InChIKeyMYZBFIQNFORJCU-UHFFFAOYSA-N
XLogP10.59
TPSA128.85 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500835.47
LogP ≤ 510.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(2-tert-butylpyrazol-3-yl)-6-(4-chloro-3-fluorophenyl)pyridine-4-carboxamide;N-tert-butyl-2-(2-tert-butylpyrazol-3-yl)-6-(4-methoxyphenyl)pyridine-4-carboxamide?
The IUPAC name of N-tert-butyl-2-(2-tert-butylpyrazol-3-yl)-6-(4-chloro-3-fluorophenyl)pyridine-4-carboxamide;N-tert-butyl-2-(2-tert-butylpyrazol-3-yl)-6-(4-methoxyphenyl)pyridine-4-carboxamide (CID 159712176) is N-tert-butyl-2-(2-tert-butylpyrazol-3-yl)-6-(4-chloro-3-fluorophenyl)pyridine-4-carboxamide;N-tert-butyl-2-(2-tert-butylpyrazol-3-yl)-6-(4-methoxyphenyl)pyridine-4-carboxamide.
What is the SMILES notation for N-tert-butyl-2-(2-tert-butylpyrazol-3-yl)-6-(4-chloro-3-fluorophenyl)pyridine-4-carboxamide;N-tert-butyl-2-(2-tert-butylpyrazol-3-yl)-6-(4-methoxyphenyl)pyridine-4-carboxamide?
The canonical SMILES for N-tert-butyl-2-(2-tert-butylpyrazol-3-yl)-6-(4-chloro-3-fluorophenyl)pyridine-4-carboxamide;N-tert-butyl-2-(2-tert-butylpyrazol-3-yl)-6-(4-methoxyphenyl)pyridine-4-carboxamide is CC(C)(C)NC(=O)c1cc(-c2ccc(Cl)c(F)c2)nc(-c2ccnn2C(C)(C)C)c1.COc1ccc(-c2cc(C(=O)NC(C)(C)C)cc(-c3ccnn3C(C)(C)C)n2)cc1.
What is the InChIKey of N-tert-butyl-2-(2-tert-butylpyrazol-3-yl)-6-(4-chloro-3-fluorophenyl)pyridine-4-carboxamide;N-tert-butyl-2-(2-tert-butylpyrazol-3-yl)-6-(4-methoxyphenyl)pyridine-4-carboxamide?
The InChIKey is MYZBFIQNFORJCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O2.C23H26ClFN4O/c1-23(2,3)27-22(29)17-14-19(16-8-10-18(30-7)11-9-16)26-20(15-17)21-12-13-25-28(21)24(4,5)6;1-22(2,3)28-21(30)15-12-18(14-7-8-16(24)17(25)11-14)27-19(13-15)20-9-10-26-29(20)23(4,5)6/h8-15H,1-7H3,(H,27,29);7-13H,1-6H3,(H,28,30).
What are the key properties of N-tert-butyl-2-(2-tert-butylpyrazol-3-yl)-6-(4-chloro-3-fluorophenyl)pyridine-4-carboxamide;N-tert-butyl-2-(2-tert-butylpyrazol-3-yl)-6-(4-methoxyphenyl)pyridine-4-carboxamide?
N-tert-butyl-2-(2-tert-butylpyrazol-3-yl)-6-(4-chloro-3-fluorophenyl)pyridine-4-carboxamide;N-tert-butyl-2-(2-tert-butylpyrazol-3-yl)-6-(4-methoxyphenyl)pyridine-4-carboxamide has a molecular weight of 835.47 g/mol, XLogP of 10.59, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(2-tert-butylpyrazol-3-yl)-6-(4-chloro-3-fluorophenyl)pyridine-4-carboxamide;N-tert-butyl-2-(2-tert-butylpyrazol-3-yl)-6-(4-methoxyphenyl)pyridine-4-carboxamide is sourced from PubChem (CID 159712176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).