3-chloro-4-[4-[(1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carbonyl)amino]-3-fluorophenoxy]pyridine-2-carboxamide

C24H19ClFN5O4 — CID 73051075

IUPAC3-chloro-4-[4-[(1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carbonyl)amino]-3-fluorophenoxy]pyridine-2-carboxamide
SMILESCc1c(C(=O)Nc2ccc(Oc3ccnc(C(N)=O)c3Cl)cc2F)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C24H19ClFN5O4/c1-13-19(24(34)31(30(13)2)14-6-4-3-5-7-14)23(33)29-17-9-8-15(12-16(17)26)35-18-10-11-28-21(20(18)25)22(27)32/h3-12H,1-2H3,(H2,27,32)(H,29,33)
InChIKeyDSQROBLTUIIWSC-UHFFFAOYSA-N
MW495.90 g/mol
LogP3.82
Rot. Bonds6

About 3-chloro-4-[4-[(1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carbonyl)amino]-3-fluorophenoxy]pyridine-2-carboxamide

3-chloro-4-[4-[(1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carbonyl)amino]-3-fluorophenoxy]pyridine-2-carboxamide (PubChem CID 73051075) has the molecular formula C24H19ClFN5O4 and a molecular weight of 495.90 g/mol. Its IUPAC name is 3-chloro-4-[4-[(1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carbonyl)amino]-3-fluorophenoxy]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-chloro-4-[4-[(1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carbonyl)amino]-3-fluorophenoxy]pyridine-2-carboxamide
PubChem CID73051075
Molecular FormulaC24H19ClFN5O4
Molecular Weight495.90 g/mol
Exact Mass495.11
IUPAC Name3-chloro-4-[4-[(1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carbonyl)amino]-3-fluorophenoxy]pyridine-2-carboxamide
SMILESCc1c(C(=O)Nc2ccc(Oc3ccnc(C(N)=O)c3Cl)cc2F)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C24H19ClFN5O4/c1-13-19(24(34)31(30(13)2)14-6-4-3-5-7-14)23(33)29-17-9-8-15(12-16(17)26)35-18-10-11-28-21(20(18)25)22(27)32/h3-12H,1-2H3,(H2,27,32)(H,29,33)
InChIKeyDSQROBLTUIIWSC-UHFFFAOYSA-N
XLogP3.82
TPSA121.24 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.90
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-chloro-4-[4-[(1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carbonyl)amino]-3-fluorophenoxy]pyridine-2-carboxamide with MolForge

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Related Compounds

N-[4-[[3-chloro-2-(diacetylamino)-4-pyridinyl]oxy]-3-fluorophenyl]-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide
CID 90032668
N-[2,5-difluoro-4-(7-methoxyquinolin-4-yl)oxyphenyl]-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide
CID 72550966
N-[5-[(2-amino-3-chloro-4-pyridinyl)oxy]-2-pyridinyl]-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide;N-[4-[(2-amino-4-pyridinyl)oxy]-2-chloro-5-fluorophenyl]-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide;N-[4-[(2-amino-4-pyridinyl)oxy]-3-chlorophenyl]-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide;N-[4-[(2-amino-4-pyridinyl)oxy]-2-deuteriophenyl]-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide;N-[4-[(2-amino-4-pyridinyl)oxy]-2-fluorophenyl]-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide;N-[5-[(2-amino-4-pyridinyl)oxy]-2-pyridinyl]-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide
CID 158677239
N-(4-bromo-2-fluorophenyl)-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide
CID 59383941
N-[2,5-difluoro-4-[[2-(2-methylbutanoylamino)-4-pyridinyl]oxy]phenyl]-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide
CID 73051226
N-[5-[(2-amino-3-chloro-4-pyridinyl)oxy]-2-pyridinyl]-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide;N-[4-[(2-amino-4-pyridinyl)oxy]-2-chloro-5-fluorophenyl]-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide;N-[4-[(2-amino-4-pyridinyl)oxy]-2-chlorophenyl]-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide;N-[4-[(2-amino-4-pyridinyl)oxy]-3-chlorophenyl]-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide;N-[5-[(2-amino-4-pyridinyl)oxy]-2-pyridinyl]-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide
CID 159574600
N-(2-chloro-5-fluoro-4-hydroxyphenyl)-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide
CID 90033637
N-[4-[3-chloro-4-[(1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carbonyl)amino]phenoxy]-2-pyridinyl]morpholine-4-carboxamide
CID 73053686
N-(2-amino-4,5-dichlorophenyl)-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide
CID 91309474
N-[4-(5-deuterio-7-methoxyquinolin-4-yl)oxyphenyl]-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide
CID 72551191
N-(2-amino-3-pyridinyl)-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide
CID 90700662
N-[4-[[2-[(2-aminoacetyl)amino]-4-pyridinyl]oxy]-3-fluorophenyl]-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide;N-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-2-deuteriophenyl]-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide;N-[4-[[2-(3-aminopropanoylamino)-4-pyridinyl]oxy]-3-fluorophenyl]-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide;N-[3-fluoro-4-[[2-[(2-hydroxyacetyl)amino]-4-pyridinyl]oxy]phenyl]-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide;N-[3-fluoro-4-[[2-(2-methylpropanoylamino)-4-pyridinyl]oxy]phenyl]-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide
CID 162216508

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[4-[(1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carbonyl)amino]-3-fluorophenoxy]pyridine-2-carboxamide?
The IUPAC name of 3-chloro-4-[4-[(1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carbonyl)amino]-3-fluorophenoxy]pyridine-2-carboxamide (CID 73051075) is 3-chloro-4-[4-[(1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carbonyl)amino]-3-fluorophenoxy]pyridine-2-carboxamide.
What is the SMILES notation for 3-chloro-4-[4-[(1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carbonyl)amino]-3-fluorophenoxy]pyridine-2-carboxamide?
The canonical SMILES for 3-chloro-4-[4-[(1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carbonyl)amino]-3-fluorophenoxy]pyridine-2-carboxamide is Cc1c(C(=O)Nc2ccc(Oc3ccnc(C(N)=O)c3Cl)cc2F)c(=O)n(-c2ccccc2)n1C.
What is the InChIKey of 3-chloro-4-[4-[(1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carbonyl)amino]-3-fluorophenoxy]pyridine-2-carboxamide?
The InChIKey is DSQROBLTUIIWSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClFN5O4/c1-13-19(24(34)31(30(13)2)14-6-4-3-5-7-14)23(33)29-17-9-8-15(12-16(17)26)35-18-10-11-28-21(20(18)25)22(27)32/h3-12H,1-2H3,(H2,27,32)(H,29,33).
What are the key properties of 3-chloro-4-[4-[(1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carbonyl)amino]-3-fluorophenoxy]pyridine-2-carboxamide?
3-chloro-4-[4-[(1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carbonyl)amino]-3-fluorophenoxy]pyridine-2-carboxamide has a molecular weight of 495.90 g/mol, XLogP of 3.82, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[4-[(1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carbonyl)amino]-3-fluorophenoxy]pyridine-2-carboxamide is sourced from PubChem (CID 73051075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).