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

C43H48F2N8O2 — CID 130298834

IUPACN-tert-butyl-2-(2-tert-butylpyrazol-3-yl)-6-(4-fluorophenyl)pyridine-4-carboxamide;N-tert-butyl-2-(4-fluorophenyl)-6-(2-methylpyrazol-3-yl)pyridine-4-carboxamide
SMILESCC(C)(C)NC(=O)c1cc(-c2ccc(F)cc2)nc(-c2ccnn2C(C)(C)C)c1.Cn1nccc1-c1cc(C(=O)NC(C)(C)C)cc(-c2ccc(F)cc2)n1
InChIInChI=1S/C23H27FN4O.C20H21FN4O/c1-22(2,3)27-21(29)16-13-18(15-7-9-17(24)10-8-15)26-19(14-16)20-11-12-25-28(20)23(4,5)6;1-20(2,3)24-19(26)14-11-16(13-5-7-15(21)8-6-13)23-17(12-14)18-9-10-22-25(18)4/h7-14H,1-6H3,(H,27,29);5-12H,1-4H3,(H,24,26)
InChIKeyPOABECKKPKFLEW-UHFFFAOYSA-N
MW746.91 g/mol
LogP8.85
Rot. Bonds6

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

N-tert-butyl-2-(2-tert-butylpyrazol-3-yl)-6-(4-fluorophenyl)pyridine-4-carboxamide;N-tert-butyl-2-(4-fluorophenyl)-6-(2-methylpyrazol-3-yl)pyridine-4-carboxamide (PubChem CID 130298834) has the molecular formula C43H48F2N8O2 and a molecular weight of 746.91 g/mol. Its IUPAC name is N-tert-butyl-2-(2-tert-butylpyrazol-3-yl)-6-(4-fluorophenyl)pyridine-4-carboxamide;N-tert-butyl-2-(4-fluorophenyl)-6-(2-methylpyrazol-3-yl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-2-(2-tert-butylpyrazol-3-yl)-6-(4-fluorophenyl)pyridine-4-carboxamide;N-tert-butyl-2-(4-fluorophenyl)-6-(2-methylpyrazol-3-yl)pyridine-4-carboxamide
PubChem CID130298834
Molecular FormulaC43H48F2N8O2
Molecular Weight746.91 g/mol
Exact Mass746.39
IUPAC NameN-tert-butyl-2-(2-tert-butylpyrazol-3-yl)-6-(4-fluorophenyl)pyridine-4-carboxamide;N-tert-butyl-2-(4-fluorophenyl)-6-(2-methylpyrazol-3-yl)pyridine-4-carboxamide
SMILESCC(C)(C)NC(=O)c1cc(-c2ccc(F)cc2)nc(-c2ccnn2C(C)(C)C)c1.Cn1nccc1-c1cc(C(=O)NC(C)(C)C)cc(-c2ccc(F)cc2)n1
InChIInChI=1S/C23H27FN4O.C20H21FN4O/c1-22(2,3)27-21(29)16-13-18(15-7-9-17(24)10-8-15)26-19(14-16)20-11-12-25-28(20)23(4,5)6;1-20(2,3)24-19(26)14-11-16(13-5-7-15(21)8-6-13)23-17(12-14)18-9-10-22-25(18)4/h7-14H,1-6H3,(H,27,29);5-12H,1-4H3,(H,24,26)
InChIKeyPOABECKKPKFLEW-UHFFFAOYSA-N
XLogP8.85
TPSA119.62 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500746.91
LogP ≤ 58.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(2-tert-butylpyrazol-3-yl)-6-(4-fluorophenyl)pyridine-4-carboxamide;N-tert-butyl-2-(4-fluorophenyl)-6-(2-methylpyrazol-3-yl)pyridine-4-carboxamide?
The IUPAC name of N-tert-butyl-2-(2-tert-butylpyrazol-3-yl)-6-(4-fluorophenyl)pyridine-4-carboxamide;N-tert-butyl-2-(4-fluorophenyl)-6-(2-methylpyrazol-3-yl)pyridine-4-carboxamide (CID 130298834) is N-tert-butyl-2-(2-tert-butylpyrazol-3-yl)-6-(4-fluorophenyl)pyridine-4-carboxamide;N-tert-butyl-2-(4-fluorophenyl)-6-(2-methylpyrazol-3-yl)pyridine-4-carboxamide.
What is the SMILES notation for N-tert-butyl-2-(2-tert-butylpyrazol-3-yl)-6-(4-fluorophenyl)pyridine-4-carboxamide;N-tert-butyl-2-(4-fluorophenyl)-6-(2-methylpyrazol-3-yl)pyridine-4-carboxamide?
The canonical SMILES for N-tert-butyl-2-(2-tert-butylpyrazol-3-yl)-6-(4-fluorophenyl)pyridine-4-carboxamide;N-tert-butyl-2-(4-fluorophenyl)-6-(2-methylpyrazol-3-yl)pyridine-4-carboxamide is CC(C)(C)NC(=O)c1cc(-c2ccc(F)cc2)nc(-c2ccnn2C(C)(C)C)c1.Cn1nccc1-c1cc(C(=O)NC(C)(C)C)cc(-c2ccc(F)cc2)n1.
What is the InChIKey of N-tert-butyl-2-(2-tert-butylpyrazol-3-yl)-6-(4-fluorophenyl)pyridine-4-carboxamide;N-tert-butyl-2-(4-fluorophenyl)-6-(2-methylpyrazol-3-yl)pyridine-4-carboxamide?
The InChIKey is POABECKKPKFLEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN4O.C20H21FN4O/c1-22(2,3)27-21(29)16-13-18(15-7-9-17(24)10-8-15)26-19(14-16)20-11-12-25-28(20)23(4,5)6;1-20(2,3)24-19(26)14-11-16(13-5-7-15(21)8-6-13)23-17(12-14)18-9-10-22-25(18)4/h7-14H,1-6H3,(H,27,29);5-12H,1-4H3,(H,24,26).
What are the key properties of N-tert-butyl-2-(2-tert-butylpyrazol-3-yl)-6-(4-fluorophenyl)pyridine-4-carboxamide;N-tert-butyl-2-(4-fluorophenyl)-6-(2-methylpyrazol-3-yl)pyridine-4-carboxamide?
N-tert-butyl-2-(2-tert-butylpyrazol-3-yl)-6-(4-fluorophenyl)pyridine-4-carboxamide;N-tert-butyl-2-(4-fluorophenyl)-6-(2-methylpyrazol-3-yl)pyridine-4-carboxamide has a molecular weight of 746.91 g/mol, XLogP of 8.85, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(2-tert-butylpyrazol-3-yl)-6-(4-fluorophenyl)pyridine-4-carboxamide;N-tert-butyl-2-(4-fluorophenyl)-6-(2-methylpyrazol-3-yl)pyridine-4-carboxamide is sourced from PubChem (CID 130298834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).