N-[4-[5-(5-pyrimidin-5-ylfuran-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide

C24H15F3N6O2 — CID 10227427

IUPACN-[4-[5-(5-pyrimidin-5-ylfuran-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(-c3cncnc3)o2)cc1)c1cccnc1
InChIInChI=1S/C24H15F3N6O2/c25-24(26,27)22-10-19(21-8-7-20(35-21)16-12-29-14-30-13-16)33(32-22)18-5-3-17(4-6-18)31-23(34)15-2-1-9-28-11-15/h1-14H,(H,31,34)
InChIKeyVOXADXOKYIVRCQ-UHFFFAOYSA-N
MW476.42 g/mol
LogP5.26
Rot. Bonds5

About N-[4-[5-(5-pyrimidin-5-ylfuran-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide

N-[4-[5-(5-pyrimidin-5-ylfuran-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide (PubChem CID 10227427) has the molecular formula C24H15F3N6O2 and a molecular weight of 476.42 g/mol. Its IUPAC name is N-[4-[5-(5-pyrimidin-5-ylfuran-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[5-(5-pyrimidin-5-ylfuran-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide
PubChem CID10227427
Molecular FormulaC24H15F3N6O2
Molecular Weight476.42 g/mol
Exact Mass476.12
IUPAC NameN-[4-[5-(5-pyrimidin-5-ylfuran-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(-c3cncnc3)o2)cc1)c1cccnc1
InChIInChI=1S/C24H15F3N6O2/c25-24(26,27)22-10-19(21-8-7-20(35-21)16-12-29-14-30-13-16)33(32-22)18-5-3-17(4-6-18)31-23(34)15-2-1-9-28-11-15/h1-14H,(H,31,34)
InChIKeyVOXADXOKYIVRCQ-UHFFFAOYSA-N
XLogP5.26
TPSA98.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.42
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(2E,4Z)-2-ethenyl-N-[4-[5-(5-pyrimidin-5-ylfuran-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]hexa-2,4-dienamide
CID 89331063
N-[4-[3-[3-(methylamino)-3-oxopropyl]-5-[4-[4-(trifluoromethyl)phenyl]phenyl]pyrazol-1-yl]phenyl]pyridine-3-carboxamide
CID 118366030
N-[4-[5-(hydroxymethyl)furan-2-yl]phenyl]pyridine-3-carboxamide
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4-[5-pyridin-3-yl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 10021928
N-[4-(furan-2-yl)phenyl]pyridine-3-carboxamide
CID 168526932
N-[4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]pyridine-3-carboxamide
CID 21203387
N-(4-fluorophenyl)pyridine-3-carboxamide;hydrochloride
CID 110756411
N-(4-acetamidophenyl)pyridine-3-carboxamide
CID 766053
N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-3,4,5-trifluorobenzamide
CID 54472602
4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-(4-imidazol-1-ylphenyl)benzamide
CID 59631754
N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-3-methylsulfonylbenzamide
CID 10184105
N-(4-fluorophenyl)-1-phenyl-5-pyridin-3-ylpyrazole-3-carboxamide
CID 53067679

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-(5-pyrimidin-5-ylfuran-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide?
The IUPAC name of N-[4-[5-(5-pyrimidin-5-ylfuran-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide (CID 10227427) is N-[4-[5-(5-pyrimidin-5-ylfuran-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[4-[5-(5-pyrimidin-5-ylfuran-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[4-[5-(5-pyrimidin-5-ylfuran-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide is O=C(Nc1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(-c3cncnc3)o2)cc1)c1cccnc1.
What is the InChIKey of N-[4-[5-(5-pyrimidin-5-ylfuran-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide?
The InChIKey is VOXADXOKYIVRCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15F3N6O2/c25-24(26,27)22-10-19(21-8-7-20(35-21)16-12-29-14-30-13-16)33(32-22)18-5-3-17(4-6-18)31-23(34)15-2-1-9-28-11-15/h1-14H,(H,31,34).
What are the key properties of N-[4-[5-(5-pyrimidin-5-ylfuran-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide?
N-[4-[5-(5-pyrimidin-5-ylfuran-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide has a molecular weight of 476.42 g/mol, XLogP of 5.26, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-(5-pyrimidin-5-ylfuran-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 10227427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).