2-(2-fluorophenyl)-N-[2-(5-fluoro-2-pyridinyl)pyrimidin-4-yl]pyrazole-3-carboxamide

C19H12F2N6O — CID 176859130

IUPAC2-(2-fluorophenyl)-N-[2-(5-fluoro-2-pyridinyl)pyrimidin-4-yl]pyrazole-3-carboxamide
SMILESO=C(Nc1ccnc(-c2ccc(F)cn2)n1)c1ccnn1-c1ccccc1F
InChIInChI=1S/C19H12F2N6O/c20-12-5-6-14(23-11-12)18-22-9-8-17(25-18)26-19(28)16-7-10-24-27(16)15-4-2-1-3-13(15)21/h1-11H,(H,22,25,26,28)
InChIKeyBBZUJPPPKBPFQS-UHFFFAOYSA-N
MW378.34 g/mol
LogP3.25
Rot. Bonds4

About 2-(2-fluorophenyl)-N-[2-(5-fluoro-2-pyridinyl)pyrimidin-4-yl]pyrazole-3-carboxamide

2-(2-fluorophenyl)-N-[2-(5-fluoro-2-pyridinyl)pyrimidin-4-yl]pyrazole-3-carboxamide (PubChem CID 176859130) has the molecular formula C19H12F2N6O and a molecular weight of 378.34 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-N-[2-(5-fluoro-2-pyridinyl)pyrimidin-4-yl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name2-(2-fluorophenyl)-N-[2-(5-fluoro-2-pyridinyl)pyrimidin-4-yl]pyrazole-3-carboxamide
PubChem CID176859130
Molecular FormulaC19H12F2N6O
Molecular Weight378.34 g/mol
Exact Mass378.10
IUPAC Name2-(2-fluorophenyl)-N-[2-(5-fluoro-2-pyridinyl)pyrimidin-4-yl]pyrazole-3-carboxamide
SMILESO=C(Nc1ccnc(-c2ccc(F)cn2)n1)c1ccnn1-c1ccccc1F
InChIInChI=1S/C19H12F2N6O/c20-12-5-6-14(23-11-12)18-22-9-8-17(25-18)26-19(28)16-7-10-24-27(16)15-4-2-1-3-13(15)21/h1-11H,(H,22,25,26,28)
InChIKeyBBZUJPPPKBPFQS-UHFFFAOYSA-N
XLogP3.25
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.34
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4-fluorophenyl)-N-[2-(5-fluoro-2-pyridinyl)pyrimidin-4-yl]-2-methyl-1,3-oxazole-5-carboxamide
CID 176859464
N-(2-pyridin-2-ylpyrimidin-4-yl)-3-pyrimidin-5-ylimidazole-4-carboxamide
CID 176858503
5-fluoro-N-[1-(2-fluorophenyl)pyrazol-4-yl]pyridine-2-carboxamide
CID 99821177
2-(5-fluoro-2-pyridinyl)-N-propylpyrimidin-4-amine
CID 79717957
1-pyridin-4-yl-N-(2-pyridin-2-ylpyrimidin-4-yl)pyrrole-2-carboxamide
CID 176859418
(5-fluoro-2-pyridinyl)-(2-phenylpyrazol-3-yl)methanone
CID 107330183
4-fluoro-N-(2-pyridin-4-ylpyrimidin-4-yl)benzamide
CID 3439528
N-[2-(4,6-dimethyl-2-pyridinyl)pyrimidin-4-yl]-4-(4-fluorophenyl)-2-methyl-1,3-oxazole-5-carboxamide
CID 176859916
4-chloro-2-(5-fluoro-2-pyridinyl)pyrimidine
CID 79722033
N-[2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-2-hydroxypropanamide
CID 123568614
5-bromo-2-(5-fluoro-2-pyridinyl)pyrimidine-4-carboxylic acid
CID 106512230
N-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 110858618

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-N-[2-(5-fluoro-2-pyridinyl)pyrimidin-4-yl]pyrazole-3-carboxamide?
The IUPAC name of 2-(2-fluorophenyl)-N-[2-(5-fluoro-2-pyridinyl)pyrimidin-4-yl]pyrazole-3-carboxamide (CID 176859130) is 2-(2-fluorophenyl)-N-[2-(5-fluoro-2-pyridinyl)pyrimidin-4-yl]pyrazole-3-carboxamide.
What is the SMILES notation for 2-(2-fluorophenyl)-N-[2-(5-fluoro-2-pyridinyl)pyrimidin-4-yl]pyrazole-3-carboxamide?
The canonical SMILES for 2-(2-fluorophenyl)-N-[2-(5-fluoro-2-pyridinyl)pyrimidin-4-yl]pyrazole-3-carboxamide is O=C(Nc1ccnc(-c2ccc(F)cn2)n1)c1ccnn1-c1ccccc1F.
What is the InChIKey of 2-(2-fluorophenyl)-N-[2-(5-fluoro-2-pyridinyl)pyrimidin-4-yl]pyrazole-3-carboxamide?
The InChIKey is BBZUJPPPKBPFQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F2N6O/c20-12-5-6-14(23-11-12)18-22-9-8-17(25-18)26-19(28)16-7-10-24-27(16)15-4-2-1-3-13(15)21/h1-11H,(H,22,25,26,28).
What are the key properties of 2-(2-fluorophenyl)-N-[2-(5-fluoro-2-pyridinyl)pyrimidin-4-yl]pyrazole-3-carboxamide?
2-(2-fluorophenyl)-N-[2-(5-fluoro-2-pyridinyl)pyrimidin-4-yl]pyrazole-3-carboxamide has a molecular weight of 378.34 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-N-[2-(5-fluoro-2-pyridinyl)pyrimidin-4-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 176859130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).