N-[3-fluoro-4-[[6-(2-methyl-4-pyridinyl)-1H-indazol-5-yl]oxy]phenyl]-1-(4-fluorophenyl)-2-methyl-5-oxo-3-(piperidin-1-ylmethyl)pyrazole-4-carboxamide

C36H33F2N7O3 — CID 59159944

IUPACN-[3-fluoro-4-[[6-(2-methyl-4-pyridinyl)-1H-indazol-5-yl]oxy]phenyl]-1-(4-fluorophenyl)-2-methyl-5-oxo-3-(piperidin-1-ylmethyl)pyrazole-4-carboxamide
SMILESCc1cc(-c2cc3[nH]ncc3cc2Oc2ccc(NC(=O)c3c(CN4CCCCC4)n(C)n(-c4ccc(F)cc4)c3=O)cc2F)ccn1
InChIInChI=1S/C36H33F2N7O3/c1-22-16-23(12-13-39-22)28-19-30-24(20-40-42-30)17-33(28)48-32-11-8-26(18-29(32)38)41-35(46)34-31(21-44-14-4-3-5-15-44)43(2)45(36(34)47)27-9-6-25(37)7-10-27/h6-13,16-20H,3-5,14-15,21H2,1-2H3,(H,40,42)(H,41,46)
InChIKeyZTAPXCQIALZJRH-UHFFFAOYSA-N
MW649.70 g/mol
LogP6.73
Rot. Bonds8

About N-[3-fluoro-4-[[6-(2-methyl-4-pyridinyl)-1H-indazol-5-yl]oxy]phenyl]-1-(4-fluorophenyl)-2-methyl-5-oxo-3-(piperidin-1-ylmethyl)pyrazole-4-carboxamide

N-[3-fluoro-4-[[6-(2-methyl-4-pyridinyl)-1H-indazol-5-yl]oxy]phenyl]-1-(4-fluorophenyl)-2-methyl-5-oxo-3-(piperidin-1-ylmethyl)pyrazole-4-carboxamide (PubChem CID 59159944) has the molecular formula C36H33F2N7O3 and a molecular weight of 649.70 g/mol. Its IUPAC name is N-[3-fluoro-4-[[6-(2-methyl-4-pyridinyl)-1H-indazol-5-yl]oxy]phenyl]-1-(4-fluorophenyl)-2-methyl-5-oxo-3-(piperidin-1-ylmethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-fluoro-4-[[6-(2-methyl-4-pyridinyl)-1H-indazol-5-yl]oxy]phenyl]-1-(4-fluorophenyl)-2-methyl-5-oxo-3-(piperidin-1-ylmethyl)pyrazole-4-carboxamide
PubChem CID59159944
Molecular FormulaC36H33F2N7O3
Molecular Weight649.70 g/mol
Exact Mass649.26
IUPAC NameN-[3-fluoro-4-[[6-(2-methyl-4-pyridinyl)-1H-indazol-5-yl]oxy]phenyl]-1-(4-fluorophenyl)-2-methyl-5-oxo-3-(piperidin-1-ylmethyl)pyrazole-4-carboxamide
SMILESCc1cc(-c2cc3[nH]ncc3cc2Oc2ccc(NC(=O)c3c(CN4CCCCC4)n(C)n(-c4ccc(F)cc4)c3=O)cc2F)ccn1
InChIInChI=1S/C36H33F2N7O3/c1-22-16-23(12-13-39-22)28-19-30-24(20-40-42-30)17-33(28)48-32-11-8-26(18-29(32)38)41-35(46)34-31(21-44-14-4-3-5-15-44)43(2)45(36(34)47)27-9-6-25(37)7-10-27/h6-13,16-20H,3-5,14-15,21H2,1-2H3,(H,40,42)(H,41,46)
InChIKeyZTAPXCQIALZJRH-UHFFFAOYSA-N
XLogP6.73
TPSA110.07 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500649.70
LogP ≤ 56.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[4-[[6-(6-amino-3-pyridinyl)-1H-indazol-5-yl]oxy]-3-fluorophenyl]-2-(4-fluorophenyl)-3-oxopyridazine-4-carboxamide
CID 59159932
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
2-[1-[[(4-fluorocyclohexa-1,5-dien-1-yl)-methylamino]-methylamino]-2-piperidin-1-ylethylidene]propanedial;3-fluoro-N-methyl-4-[[6-(2-methyl-4-pyridinyl)-1H-indazol-5-yl]oxy]aniline
CID 143930555
1-(4-fluorophenyl)-N-(3-fluoro-4-pyrrolo[1,2-b]pyridazin-4-yloxyphenyl)-2,3-dimethyl-5-oxopyrazole-4-carboxamide
CID 46194994
N-[3-fluoro-4-[(6-morpholin-4-yl-1H-indazol-5-yl)oxy]phenyl]-1-(4-fluorophenyl)-6-methyl-2-oxopyridine-3-carboxamide
CID 59159943
N-[4-[(6-amino-1H-indazol-5-yl)oxy]-3-fluorophenyl]-6-methyl-2-oxo-1-phenylpyridine-3-carboxamide
CID 59159924
N-[3-fluoro-4-[[6-(oxan-4-ylamino)-1H-indazol-5-yl]oxy]phenyl]-1-(4-fluorophenyl)-4,6-dimethyl-2-oxopyridine-3-carboxamide;methanesulfinic acid
CID 143930565
N-[3-fluoro-4-[7-(oxocan-2-ylmethoxy)quinolin-4-yl]oxyphenyl]-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide
CID 163637848
N-[4-[[3-chloro-2-(diacetylamino)-4-pyridinyl]oxy]-3-fluorophenyl]-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide
CID 90032668
N-[4-(6-bromo-7-methoxyquinolin-4-yl)oxy-3-fluorophenyl]-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide
CID 70681644
3-[2-[3-fluoro-4-[1-methyl-6-(2-methyl-4-pyridinyl)indazol-5-yl]oxyphenyl]acetyl]-1-(4-fluorophenyl)-6-methylpyridin-2-one;methanesulfonic acid
CID 158401524
N-[3-fluoro-4-[[6-[(2R)-2-methyloxocan-4-yl]-1H-indazol-5-yl]oxy]phenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide
CID 143930542

Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-4-[[6-(2-methyl-4-pyridinyl)-1H-indazol-5-yl]oxy]phenyl]-1-(4-fluorophenyl)-2-methyl-5-oxo-3-(piperidin-1-ylmethyl)pyrazole-4-carboxamide?
The IUPAC name of N-[3-fluoro-4-[[6-(2-methyl-4-pyridinyl)-1H-indazol-5-yl]oxy]phenyl]-1-(4-fluorophenyl)-2-methyl-5-oxo-3-(piperidin-1-ylmethyl)pyrazole-4-carboxamide (CID 59159944) is N-[3-fluoro-4-[[6-(2-methyl-4-pyridinyl)-1H-indazol-5-yl]oxy]phenyl]-1-(4-fluorophenyl)-2-methyl-5-oxo-3-(piperidin-1-ylmethyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-[3-fluoro-4-[[6-(2-methyl-4-pyridinyl)-1H-indazol-5-yl]oxy]phenyl]-1-(4-fluorophenyl)-2-methyl-5-oxo-3-(piperidin-1-ylmethyl)pyrazole-4-carboxamide?
The canonical SMILES for N-[3-fluoro-4-[[6-(2-methyl-4-pyridinyl)-1H-indazol-5-yl]oxy]phenyl]-1-(4-fluorophenyl)-2-methyl-5-oxo-3-(piperidin-1-ylmethyl)pyrazole-4-carboxamide is Cc1cc(-c2cc3[nH]ncc3cc2Oc2ccc(NC(=O)c3c(CN4CCCCC4)n(C)n(-c4ccc(F)cc4)c3=O)cc2F)ccn1.
What is the InChIKey of N-[3-fluoro-4-[[6-(2-methyl-4-pyridinyl)-1H-indazol-5-yl]oxy]phenyl]-1-(4-fluorophenyl)-2-methyl-5-oxo-3-(piperidin-1-ylmethyl)pyrazole-4-carboxamide?
The InChIKey is ZTAPXCQIALZJRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H33F2N7O3/c1-22-16-23(12-13-39-22)28-19-30-24(20-40-42-30)17-33(28)48-32-11-8-26(18-29(32)38)41-35(46)34-31(21-44-14-4-3-5-15-44)43(2)45(36(34)47)27-9-6-25(37)7-10-27/h6-13,16-20H,3-5,14-15,21H2,1-2H3,(H,40,42)(H,41,46).
What are the key properties of N-[3-fluoro-4-[[6-(2-methyl-4-pyridinyl)-1H-indazol-5-yl]oxy]phenyl]-1-(4-fluorophenyl)-2-methyl-5-oxo-3-(piperidin-1-ylmethyl)pyrazole-4-carboxamide?
N-[3-fluoro-4-[[6-(2-methyl-4-pyridinyl)-1H-indazol-5-yl]oxy]phenyl]-1-(4-fluorophenyl)-2-methyl-5-oxo-3-(piperidin-1-ylmethyl)pyrazole-4-carboxamide has a molecular weight of 649.70 g/mol, XLogP of 6.73, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-4-[[6-(2-methyl-4-pyridinyl)-1H-indazol-5-yl]oxy]phenyl]-1-(4-fluorophenyl)-2-methyl-5-oxo-3-(piperidin-1-ylmethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 59159944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).