N-(3-fluoro-4-pyrido[3,4-d]pyridazin-1-ylphenyl)-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide

C25H19FN6O2 — CID 24999273

IUPACN-(3-fluoro-4-pyrido[3,4-d]pyridazin-1-ylphenyl)-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2ccc(-c3nncc4cnccc34)c(F)c2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C25H19FN6O2/c1-15-22(25(34)32(31(15)2)18-6-4-3-5-7-18)24(33)29-17-8-9-20(21(26)12-17)23-19-10-11-27-13-16(19)14-28-30-23/h3-14H,1-2H3,(H,29,33)
InChIKeyRXXMBTOZTUXKFT-UHFFFAOYSA-N
MW454.47 g/mol
LogP3.88
Rot. Bonds4

About N-(3-fluoro-4-pyrido[3,4-d]pyridazin-1-ylphenyl)-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide

N-(3-fluoro-4-pyrido[3,4-d]pyridazin-1-ylphenyl)-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide (PubChem CID 24999273) has the molecular formula C25H19FN6O2 and a molecular weight of 454.47 g/mol. Its IUPAC name is N-(3-fluoro-4-pyrido[3,4-d]pyridazin-1-ylphenyl)-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-fluoro-4-pyrido[3,4-d]pyridazin-1-ylphenyl)-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide
PubChem CID24999273
Molecular FormulaC25H19FN6O2
Molecular Weight454.47 g/mol
Exact Mass454.16
IUPAC NameN-(3-fluoro-4-pyrido[3,4-d]pyridazin-1-ylphenyl)-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2ccc(-c3nncc4cnccc34)c(F)c2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C25H19FN6O2/c1-15-22(25(34)32(31(15)2)18-6-4-3-5-7-18)24(33)29-17-8-9-20(21(26)12-17)23-19-10-11-27-13-16(19)14-28-30-23/h3-14H,1-2H3,(H,29,33)
InChIKeyRXXMBTOZTUXKFT-UHFFFAOYSA-N
XLogP3.88
TPSA94.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.47
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-bromo-3-fluorophenyl)-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide
CID 59383942
N-[4-(6-bromo-7-methoxyquinolin-4-yl)oxy-3-fluorophenyl]-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide
CID 70681644
N-[4-[[3-chloro-2-(diacetylamino)-4-pyridinyl]oxy]-3-fluorophenyl]-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide
CID 90032668
N-(3-fluoro-4-thieno[3,2-d]pyrimidin-4-yloxyphenyl)-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide
CID 66803643
N-[3-fluoro-4-(1-methyl-6-pyridin-3-ylindazol-5-yl)oxyphenyl]-1-(4-fluorophenyl)-2,3-dimethyl-5-oxopyrazole-4-carboxamide;methanesulfonic acid
CID 87141342
N-[3-fluoro-4-(6H-thieno[3,2-b]azepin-8-yloxy)phenyl]-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide
CID 163622808
N-[4-(3-amino-6-piperidin-1-ylpyrazin-2-yl)phenyl]-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide
CID 66546510
N-(2-chloro-5-fluoro-4-hydroxyphenyl)-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide
CID 90033637
N-[3-fluoro-4-[2-(3-morpholin-4-ylanilino)pyrimidin-4-yl]oxyphenyl]-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide
CID 164622414
1-(4-fluorophenyl)-N-(3-fluoro-4-pyrrolo[1,2-b]pyridazin-4-yloxyphenyl)-2,3-dimethyl-5-oxopyrazole-4-carboxamide
CID 46194994
N-[4-[3-amino-6-[2-(3-fluoroazetidin-1-yl)-4-pyridinyl]pyrazin-2-yl]phenyl]-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide
CID 90256631
N-[4-(3-amino-6-pyridin-3-ylpyrazin-2-yl)phenyl]-1-(3-chlorophenyl)-2,3-dimethyl-5-oxopyrazole-4-carboxamide
CID 90256963

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-pyrido[3,4-d]pyridazin-1-ylphenyl)-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide?
The IUPAC name of N-(3-fluoro-4-pyrido[3,4-d]pyridazin-1-ylphenyl)-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide (CID 24999273) is N-(3-fluoro-4-pyrido[3,4-d]pyridazin-1-ylphenyl)-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-(3-fluoro-4-pyrido[3,4-d]pyridazin-1-ylphenyl)-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-(3-fluoro-4-pyrido[3,4-d]pyridazin-1-ylphenyl)-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide is Cc1c(C(=O)Nc2ccc(-c3nncc4cnccc34)c(F)c2)c(=O)n(-c2ccccc2)n1C.
What is the InChIKey of N-(3-fluoro-4-pyrido[3,4-d]pyridazin-1-ylphenyl)-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide?
The InChIKey is RXXMBTOZTUXKFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19FN6O2/c1-15-22(25(34)32(31(15)2)18-6-4-3-5-7-18)24(33)29-17-8-9-20(21(26)12-17)23-19-10-11-27-13-16(19)14-28-30-23/h3-14H,1-2H3,(H,29,33).
What are the key properties of N-(3-fluoro-4-pyrido[3,4-d]pyridazin-1-ylphenyl)-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide?
N-(3-fluoro-4-pyrido[3,4-d]pyridazin-1-ylphenyl)-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide has a molecular weight of 454.47 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-pyrido[3,4-d]pyridazin-1-ylphenyl)-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 24999273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).