N-tert-butyl-2-(4-fluorophenyl)-6-(4-propan-2-yl-1H-pyrazol-5-yl)pyridine-4-carboxamide

C22H25FN4O — CID 130298832

IUPACN-tert-butyl-2-(4-fluorophenyl)-6-(4-propan-2-yl-1H-pyrazol-5-yl)pyridine-4-carboxamide
SMILESCC(C)c1cn[nH]c1-c1cc(C(=O)NC(C)(C)C)cc(-c2ccc(F)cc2)n1
InChIInChI=1S/C22H25FN4O/c1-13(2)17-12-24-27-20(17)19-11-15(21(28)26-22(3,4)5)10-18(25-19)14-6-8-16(23)9-7-14/h6-13H,1-5H3,(H,24,27)(H,26,28)
InChIKeyMTHGXCCBIHAWPJ-UHFFFAOYSA-N
MW380.47 g/mol
LogP4.93
Rot. Bonds4

About N-tert-butyl-2-(4-fluorophenyl)-6-(4-propan-2-yl-1H-pyrazol-5-yl)pyridine-4-carboxamide

N-tert-butyl-2-(4-fluorophenyl)-6-(4-propan-2-yl-1H-pyrazol-5-yl)pyridine-4-carboxamide (PubChem CID 130298832) has the molecular formula C22H25FN4O and a molecular weight of 380.47 g/mol. Its IUPAC name is N-tert-butyl-2-(4-fluorophenyl)-6-(4-propan-2-yl-1H-pyrazol-5-yl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-2-(4-fluorophenyl)-6-(4-propan-2-yl-1H-pyrazol-5-yl)pyridine-4-carboxamide
PubChem CID130298832
Molecular FormulaC22H25FN4O
Molecular Weight380.47 g/mol
Exact Mass380.20
IUPAC NameN-tert-butyl-2-(4-fluorophenyl)-6-(4-propan-2-yl-1H-pyrazol-5-yl)pyridine-4-carboxamide
SMILESCC(C)c1cn[nH]c1-c1cc(C(=O)NC(C)(C)C)cc(-c2ccc(F)cc2)n1
InChIInChI=1S/C22H25FN4O/c1-13(2)17-12-24-27-20(17)19-11-15(21(28)26-22(3,4)5)10-18(25-19)14-6-8-16(23)9-7-14/h6-13H,1-5H3,(H,24,27)(H,26,28)
InChIKeyMTHGXCCBIHAWPJ-UHFFFAOYSA-N
XLogP4.93
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(4-fluorophenyl)-6-(4-propan-2-yl-1H-pyrazol-5-yl)pyridine-4-carboxamide?
The IUPAC name of N-tert-butyl-2-(4-fluorophenyl)-6-(4-propan-2-yl-1H-pyrazol-5-yl)pyridine-4-carboxamide (CID 130298832) is N-tert-butyl-2-(4-fluorophenyl)-6-(4-propan-2-yl-1H-pyrazol-5-yl)pyridine-4-carboxamide.
What is the SMILES notation for N-tert-butyl-2-(4-fluorophenyl)-6-(4-propan-2-yl-1H-pyrazol-5-yl)pyridine-4-carboxamide?
The canonical SMILES for N-tert-butyl-2-(4-fluorophenyl)-6-(4-propan-2-yl-1H-pyrazol-5-yl)pyridine-4-carboxamide is CC(C)c1cn[nH]c1-c1cc(C(=O)NC(C)(C)C)cc(-c2ccc(F)cc2)n1.
What is the InChIKey of N-tert-butyl-2-(4-fluorophenyl)-6-(4-propan-2-yl-1H-pyrazol-5-yl)pyridine-4-carboxamide?
The InChIKey is MTHGXCCBIHAWPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN4O/c1-13(2)17-12-24-27-20(17)19-11-15(21(28)26-22(3,4)5)10-18(25-19)14-6-8-16(23)9-7-14/h6-13H,1-5H3,(H,24,27)(H,26,28).
What are the key properties of N-tert-butyl-2-(4-fluorophenyl)-6-(4-propan-2-yl-1H-pyrazol-5-yl)pyridine-4-carboxamide?
N-tert-butyl-2-(4-fluorophenyl)-6-(4-propan-2-yl-1H-pyrazol-5-yl)pyridine-4-carboxamide has a molecular weight of 380.47 g/mol, XLogP of 4.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(4-fluorophenyl)-6-(4-propan-2-yl-1H-pyrazol-5-yl)pyridine-4-carboxamide is sourced from PubChem (CID 130298832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).