1-[5-(3,4-dichloro-2-oxo-1-pyridinyl)-2-pyridinyl]-N-ethyl-5-(trifluoromethyl)pyrazole-4-carboxamide

C17H12Cl2F3N5O2 — CID 163256025

IUPAC1-[5-(3,4-dichloro-2-oxo-1-pyridinyl)-2-pyridinyl]-N-ethyl-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCCNC(=O)c1cnn(-c2ccc(-n3ccc(Cl)c(Cl)c3=O)cn2)c1C(F)(F)F
InChIInChI=1S/C17H12Cl2F3N5O2/c1-2-23-15(28)10-8-25-27(14(10)17(20,21)22)12-4-3-9(7-24-12)26-6-5-11(18)13(19)16(26)29/h3-8H,2H2,1H3,(H,23,28)
InChIKeyIADKLXZCKMKRPZ-UHFFFAOYSA-N
MW446.22 g/mol
LogP3.49
Rot. Bonds4

About 1-[5-(3,4-dichloro-2-oxo-1-pyridinyl)-2-pyridinyl]-N-ethyl-5-(trifluoromethyl)pyrazole-4-carboxamide

1-[5-(3,4-dichloro-2-oxo-1-pyridinyl)-2-pyridinyl]-N-ethyl-5-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 163256025) has the molecular formula C17H12Cl2F3N5O2 and a molecular weight of 446.22 g/mol. Its IUPAC name is 1-[5-(3,4-dichloro-2-oxo-1-pyridinyl)-2-pyridinyl]-N-ethyl-5-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[5-(3,4-dichloro-2-oxo-1-pyridinyl)-2-pyridinyl]-N-ethyl-5-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID163256025
Molecular FormulaC17H12Cl2F3N5O2
Molecular Weight446.22 g/mol
Exact Mass445.03
IUPAC Name1-[5-(3,4-dichloro-2-oxo-1-pyridinyl)-2-pyridinyl]-N-ethyl-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCCNC(=O)c1cnn(-c2ccc(-n3ccc(Cl)c(Cl)c3=O)cn2)c1C(F)(F)F
InChIInChI=1S/C17H12Cl2F3N5O2/c1-2-23-15(28)10-8-25-27(14(10)17(20,21)22)12-4-3-9(7-24-12)26-6-5-11(18)13(19)16(26)29/h3-8H,2H2,1H3,(H,23,28)
InChIKeyIADKLXZCKMKRPZ-UHFFFAOYSA-N
XLogP3.49
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.22
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[5-(3,4-dichloro-2-oxo-1-pyridinyl)-2-pyridinyl]-N-ethyl-5-(trifluoromethyl)pyrazole-4-carboxamide with MolForge

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Related Compounds

8-[4-[2-[(4-Fluorophenyl)methyl-Methyl-Amino]ethyl]pyrazol-1-Yl]-3~{h}-Pyrido[3,4-D]pyrimidin-4-One
CID 135567108
8-[4-[2-(dimethylamino)ethyl]pyrazol-1-yl]-3H-pyrido[3,4-d]pyrimidin-4-one
CID 135567109
8-[4-(2-piperidin-1-ylethyl)pyrazol-1-yl]-3H-pyrido[3,4-d]pyrimidin-4-one
CID 137174995
8-[4-(1-methylpiperidin-4-yl)pyrazol-1-yl]-3~{H}-pyrido[3,4-d]pyrimidin-4-one
CID 138393333
6-(ethylcarbamoylamino)-4-pyrazol-1-yl-~{N}-pyridin-3-yl-pyridine-3-carboxamide
CID 138454245
N-(2,4-difluorophenyl)-6-(1H-pyrazol-1-yl)nicotinamide
CID 3567091
US9586948, Example 18
CID 117872469
1-[(3S,4S)-4-(cyanomethyl)-1-(2,2-difluoropropanoyl)-3-fluoropiperidin-4-yl]-3-[(6-fluoro-3-pyridinyl)amino]pyrazole-4-carboxamide
CID 89473770
1-[(3R,4R)-4-(cyanomethyl)-1-(2,2-difluoropropanoyl)-3-fluoropiperidin-4-yl]-3-[(6-fluoropyridin-3-yl)amino]pyrazole-4-carboxamide
CID 90335465
N-[(3S)-1-[6-(tert-butylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]-N,2-dimethyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 146637376
8-pyrazol-1-yl-3H-pyrido[3,4-d]pyrimidin-4-one
CID 135567114
N-{3-[4-(2-fluorophenyl)piperazin-1-yl]propyl}-3-methyl-1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carboxamide
CID 16011935

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3,4-dichloro-2-oxo-1-pyridinyl)-2-pyridinyl]-N-ethyl-5-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of 1-[5-(3,4-dichloro-2-oxo-1-pyridinyl)-2-pyridinyl]-N-ethyl-5-(trifluoromethyl)pyrazole-4-carboxamide (CID 163256025) is 1-[5-(3,4-dichloro-2-oxo-1-pyridinyl)-2-pyridinyl]-N-ethyl-5-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-[5-(3,4-dichloro-2-oxo-1-pyridinyl)-2-pyridinyl]-N-ethyl-5-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-[5-(3,4-dichloro-2-oxo-1-pyridinyl)-2-pyridinyl]-N-ethyl-5-(trifluoromethyl)pyrazole-4-carboxamide is CCNC(=O)c1cnn(-c2ccc(-n3ccc(Cl)c(Cl)c3=O)cn2)c1C(F)(F)F.
What is the InChIKey of 1-[5-(3,4-dichloro-2-oxo-1-pyridinyl)-2-pyridinyl]-N-ethyl-5-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is IADKLXZCKMKRPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2F3N5O2/c1-2-23-15(28)10-8-25-27(14(10)17(20,21)22)12-4-3-9(7-24-12)26-6-5-11(18)13(19)16(26)29/h3-8H,2H2,1H3,(H,23,28).
What are the key properties of 1-[5-(3,4-dichloro-2-oxo-1-pyridinyl)-2-pyridinyl]-N-ethyl-5-(trifluoromethyl)pyrazole-4-carboxamide?
1-[5-(3,4-dichloro-2-oxo-1-pyridinyl)-2-pyridinyl]-N-ethyl-5-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 446.22 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3,4-dichloro-2-oxo-1-pyridinyl)-2-pyridinyl]-N-ethyl-5-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 163256025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).