5-fluoro-N-[5-[[5-(3-fluorophenyl)-3-pyridinyl]carbamoyl]-1H-pyrazol-4-yl]pyridine-3-carboxamide

C21H14F2N6O2 — CID 154654559

IUPAC5-fluoro-N-[5-[[5-(3-fluorophenyl)-3-pyridinyl]carbamoyl]-1H-pyrazol-4-yl]pyridine-3-carboxamide
SMILESO=C(Nc1cn[nH]c1C(=O)Nc1cncc(-c2cccc(F)c2)c1)c1cncc(F)c1
InChIInChI=1S/C21H14F2N6O2/c22-15-3-1-2-12(4-15)13-6-17(10-25-7-13)27-21(31)19-18(11-26-29-19)28-20(30)14-5-16(23)9-24-8-14/h1-11H,(H,26,29)(H,27,31)(H,28,30)
InChIKeyBQPPKRPFKLQBHB-UHFFFAOYSA-N
MW420.38 g/mol
LogP3.65
Rot. Bonds5

About 5-fluoro-N-[5-[[5-(3-fluorophenyl)-3-pyridinyl]carbamoyl]-1H-pyrazol-4-yl]pyridine-3-carboxamide

5-fluoro-N-[5-[[5-(3-fluorophenyl)-3-pyridinyl]carbamoyl]-1H-pyrazol-4-yl]pyridine-3-carboxamide (PubChem CID 154654559) has the molecular formula C21H14F2N6O2 and a molecular weight of 420.38 g/mol. Its IUPAC name is 5-fluoro-N-[5-[[5-(3-fluorophenyl)-3-pyridinyl]carbamoyl]-1H-pyrazol-4-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-fluoro-N-[5-[[5-(3-fluorophenyl)-3-pyridinyl]carbamoyl]-1H-pyrazol-4-yl]pyridine-3-carboxamide
PubChem CID154654559
Molecular FormulaC21H14F2N6O2
Molecular Weight420.38 g/mol
Exact Mass420.11
IUPAC Name5-fluoro-N-[5-[[5-(3-fluorophenyl)-3-pyridinyl]carbamoyl]-1H-pyrazol-4-yl]pyridine-3-carboxamide
SMILESO=C(Nc1cn[nH]c1C(=O)Nc1cncc(-c2cccc(F)c2)c1)c1cncc(F)c1
InChIInChI=1S/C21H14F2N6O2/c22-15-3-1-2-12(4-15)13-6-17(10-25-7-13)27-21(31)19-18(11-26-29-19)28-20(30)14-5-16(23)9-24-8-14/h1-11H,(H,26,29)(H,27,31)(H,28,30)
InChIKeyBQPPKRPFKLQBHB-UHFFFAOYSA-N
XLogP3.65
TPSA112.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.38
LogP ≤ 53.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[5-[[5-(3-fluorophenyl)-3-pyridinyl]carbamoyl]-1H-pyrazol-4-yl]pyridine-3-carboxamide?
The IUPAC name of 5-fluoro-N-[5-[[5-(3-fluorophenyl)-3-pyridinyl]carbamoyl]-1H-pyrazol-4-yl]pyridine-3-carboxamide (CID 154654559) is 5-fluoro-N-[5-[[5-(3-fluorophenyl)-3-pyridinyl]carbamoyl]-1H-pyrazol-4-yl]pyridine-3-carboxamide.
What is the SMILES notation for 5-fluoro-N-[5-[[5-(3-fluorophenyl)-3-pyridinyl]carbamoyl]-1H-pyrazol-4-yl]pyridine-3-carboxamide?
The canonical SMILES for 5-fluoro-N-[5-[[5-(3-fluorophenyl)-3-pyridinyl]carbamoyl]-1H-pyrazol-4-yl]pyridine-3-carboxamide is O=C(Nc1cn[nH]c1C(=O)Nc1cncc(-c2cccc(F)c2)c1)c1cncc(F)c1.
What is the InChIKey of 5-fluoro-N-[5-[[5-(3-fluorophenyl)-3-pyridinyl]carbamoyl]-1H-pyrazol-4-yl]pyridine-3-carboxamide?
The InChIKey is BQPPKRPFKLQBHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F2N6O2/c22-15-3-1-2-12(4-15)13-6-17(10-25-7-13)27-21(31)19-18(11-26-29-19)28-20(30)14-5-16(23)9-24-8-14/h1-11H,(H,26,29)(H,27,31)(H,28,30).
What are the key properties of 5-fluoro-N-[5-[[5-(3-fluorophenyl)-3-pyridinyl]carbamoyl]-1H-pyrazol-4-yl]pyridine-3-carboxamide?
5-fluoro-N-[5-[[5-(3-fluorophenyl)-3-pyridinyl]carbamoyl]-1H-pyrazol-4-yl]pyridine-3-carboxamide has a molecular weight of 420.38 g/mol, XLogP of 3.65, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[5-[[5-(3-fluorophenyl)-3-pyridinyl]carbamoyl]-1H-pyrazol-4-yl]pyridine-3-carboxamide is sourced from PubChem (CID 154654559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).