N-[3-fluoro-4-[(6-pyridin-4-yl-1H-indazol-5-yl)oxy]phenyl]-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide

C30H23FN6O3 — CID 59159899

IUPACN-[3-fluoro-4-[(6-pyridin-4-yl-1H-indazol-5-yl)oxy]phenyl]-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2ccc(Oc3cc4cn[nH]c4cc3-c3ccncc3)c(F)c2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C30H23FN6O3/c1-18-28(30(39)37(36(18)2)22-6-4-3-5-7-22)29(38)34-21-8-9-26(24(31)15-21)40-27-14-20-17-33-35-25(20)16-23(27)19-10-12-32-13-11-19/h3-17H,1-2H3,(H,33,35)(H,34,38)
InChIKeyNACVDSJLYUTAMB-UHFFFAOYSA-N
MW534.55 g/mol
LogP5.61
Rot. Bonds6

About N-[3-fluoro-4-[(6-pyridin-4-yl-1H-indazol-5-yl)oxy]phenyl]-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide

N-[3-fluoro-4-[(6-pyridin-4-yl-1H-indazol-5-yl)oxy]phenyl]-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide (PubChem CID 59159899) has the molecular formula C30H23FN6O3 and a molecular weight of 534.55 g/mol. Its IUPAC name is N-[3-fluoro-4-[(6-pyridin-4-yl-1H-indazol-5-yl)oxy]phenyl]-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-fluoro-4-[(6-pyridin-4-yl-1H-indazol-5-yl)oxy]phenyl]-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide
PubChem CID59159899
Molecular FormulaC30H23FN6O3
Molecular Weight534.55 g/mol
Exact Mass534.18
IUPAC NameN-[3-fluoro-4-[(6-pyridin-4-yl-1H-indazol-5-yl)oxy]phenyl]-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2ccc(Oc3cc4cn[nH]c4cc3-c3ccncc3)c(F)c2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C30H23FN6O3/c1-18-28(30(39)37(36(18)2)22-6-4-3-5-7-22)29(38)34-21-8-9-26(24(31)15-21)40-27-14-20-17-33-35-25(20)16-23(27)19-10-12-32-13-11-19/h3-17H,1-2H3,(H,33,35)(H,34,38)
InChIKeyNACVDSJLYUTAMB-UHFFFAOYSA-N
XLogP5.61
TPSA106.83 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.55
LogP ≤ 55.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[3-fluoro-4-[(6-pyridin-4-yl-1H-indazol-5-yl)oxy]phenyl]-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-4-[(6-pyridin-4-yl-1H-indazol-5-yl)oxy]phenyl]-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide?
The IUPAC name of N-[3-fluoro-4-[(6-pyridin-4-yl-1H-indazol-5-yl)oxy]phenyl]-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide (CID 59159899) is N-[3-fluoro-4-[(6-pyridin-4-yl-1H-indazol-5-yl)oxy]phenyl]-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-[3-fluoro-4-[(6-pyridin-4-yl-1H-indazol-5-yl)oxy]phenyl]-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-[3-fluoro-4-[(6-pyridin-4-yl-1H-indazol-5-yl)oxy]phenyl]-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide is Cc1c(C(=O)Nc2ccc(Oc3cc4cn[nH]c4cc3-c3ccncc3)c(F)c2)c(=O)n(-c2ccccc2)n1C.
What is the InChIKey of N-[3-fluoro-4-[(6-pyridin-4-yl-1H-indazol-5-yl)oxy]phenyl]-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide?
The InChIKey is NACVDSJLYUTAMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23FN6O3/c1-18-28(30(39)37(36(18)2)22-6-4-3-5-7-22)29(38)34-21-8-9-26(24(31)15-21)40-27-14-20-17-33-35-25(20)16-23(27)19-10-12-32-13-11-19/h3-17H,1-2H3,(H,33,35)(H,34,38).
What are the key properties of N-[3-fluoro-4-[(6-pyridin-4-yl-1H-indazol-5-yl)oxy]phenyl]-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide?
N-[3-fluoro-4-[(6-pyridin-4-yl-1H-indazol-5-yl)oxy]phenyl]-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide has a molecular weight of 534.55 g/mol, XLogP of 5.61, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-4-[(6-pyridin-4-yl-1H-indazol-5-yl)oxy]phenyl]-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 59159899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).