1-(7-fluoro-6-oxoquinolizin-1-yl)-5-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-carboxamide

C20H10F7N5O2 — CID 168877829

IUPAC1-(7-fluoro-6-oxoquinolizin-1-yl)-5-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-carboxamide
SMILESO=C(Nc1ccnc(C(F)(F)F)c1)c1cnn(-c2cccn3c(=O)c(F)ccc23)c1C(F)(F)F
InChIInChI=1S/C20H10F7N5O2/c21-12-3-4-13-14(2-1-7-31(13)18(12)34)32-16(20(25,26)27)11(9-29-32)17(33)30-10-5-6-28-15(8-10)19(22,23)24/h1-9H,(H,28,30,33)
InChIKeyMEZIHUQUGYSOOZ-UHFFFAOYSA-N
MW485.32 g/mol
LogP4.31
Rot. Bonds3

About 1-(7-fluoro-6-oxoquinolizin-1-yl)-5-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-carboxamide

1-(7-fluoro-6-oxoquinolizin-1-yl)-5-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-carboxamide (PubChem CID 168877829) has the molecular formula C20H10F7N5O2 and a molecular weight of 485.32 g/mol. Its IUPAC name is 1-(7-fluoro-6-oxoquinolizin-1-yl)-5-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(7-fluoro-6-oxoquinolizin-1-yl)-5-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-carboxamide
PubChem CID168877829
Molecular FormulaC20H10F7N5O2
Molecular Weight485.32 g/mol
Exact Mass485.07
IUPAC Name1-(7-fluoro-6-oxoquinolizin-1-yl)-5-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-carboxamide
SMILESO=C(Nc1ccnc(C(F)(F)F)c1)c1cnn(-c2cccn3c(=O)c(F)ccc23)c1C(F)(F)F
InChIInChI=1S/C20H10F7N5O2/c21-12-3-4-13-14(2-1-7-31(13)18(12)34)32-16(20(25,26)27)11(9-29-32)17(33)30-10-5-6-28-15(8-10)19(22,23)24/h1-9H,(H,28,30,33)
InChIKeyMEZIHUQUGYSOOZ-UHFFFAOYSA-N
XLogP4.31
TPSA81.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.32
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[5-(trifluoromethyl)-4-[[2-(trifluoromethyl)-4-pyridinyl]carbamoyl]pyrazol-1-yl]pyrazolo[1,5-a]pyridine-7-carboxamide
CID 146279686
1-quinolin-5-yl-5-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-carboxamide
CID 134610182
1-(1-aminoisoquinolin-4-yl)-5-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-carboxamide
CID 134609753
1-(2-oxo-1H-quinolin-5-yl)-5-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-carboxamide
CID 175432579
1-(1H-indol-4-yl)-5-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-carboxamide
CID 168877782
1-(2-methyl-[1,2,4]triazolo[5,1-a]isoquinolin-7-yl)-5-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-carboxamide
CID 167240115
1-(2-oxo-1,3-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9,11-pentaen-7-yl)-5-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-carboxamide
CID 168966693
N-[2-[difluoro(hydroxy)methyl]-4-pyridinyl]-1-(1-oxo-2H-isoquinolin-5-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 167240482
5-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]-1-[1-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinolin-5-yl]pyrazole-4-carboxamide
CID 168877799
N-[2-[difluoro(methoxy)methyl]-4-pyridinyl]-1-(1-oxo-2H-isoquinolin-5-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 167240510
N-(3-chloro-4-pyrazol-1-ylphenyl)-1-(4-oxopyrido[1,2-a]pyrimidin-9-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 171616255
N-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-1-(2-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 166545418

Frequently Asked Questions

What is the IUPAC name of 1-(7-fluoro-6-oxoquinolizin-1-yl)-5-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-carboxamide?
The IUPAC name of 1-(7-fluoro-6-oxoquinolizin-1-yl)-5-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-carboxamide (CID 168877829) is 1-(7-fluoro-6-oxoquinolizin-1-yl)-5-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-(7-fluoro-6-oxoquinolizin-1-yl)-5-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-(7-fluoro-6-oxoquinolizin-1-yl)-5-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-carboxamide is O=C(Nc1ccnc(C(F)(F)F)c1)c1cnn(-c2cccn3c(=O)c(F)ccc23)c1C(F)(F)F.
What is the InChIKey of 1-(7-fluoro-6-oxoquinolizin-1-yl)-5-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-carboxamide?
The InChIKey is MEZIHUQUGYSOOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H10F7N5O2/c21-12-3-4-13-14(2-1-7-31(13)18(12)34)32-16(20(25,26)27)11(9-29-32)17(33)30-10-5-6-28-15(8-10)19(22,23)24/h1-9H,(H,28,30,33).
What are the key properties of 1-(7-fluoro-6-oxoquinolizin-1-yl)-5-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-carboxamide?
1-(7-fluoro-6-oxoquinolizin-1-yl)-5-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-carboxamide has a molecular weight of 485.32 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-fluoro-6-oxoquinolizin-1-yl)-5-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-carboxamide is sourced from PubChem (CID 168877829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).