N-[3-fluoro-4-[[6-(2-methyloxocan-4-yl)-1H-indazol-5-yl]oxy]phenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide

C33H30F2N4O4 — CID 91171570

IUPACN-[3-fluoro-4-[[6-(2-methyloxocan-4-yl)-1H-indazol-5-yl]oxy]phenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide
SMILESCC1CC(c2cc3[nH]ncc3cc2Oc2ccc(NC(=O)c3cccn(-c4ccc(F)cc4)c3=O)cc2F)CCCCO1
InChIInChI=1S/C33H30F2N4O4/c1-20-15-21(5-2-3-14-42-20)27-18-29-22(19-36-38-29)16-31(27)43-30-12-9-24(17-28(30)35)37-32(40)26-6-4-13-39(33(26)41)25-10-7-23(34)8-11-25/h4,6-13,16-21H,2-3,5,14-15H2,1H3,(H,36,38)(H,37,40)
InChIKeyKIYKDXWVMHURNH-UHFFFAOYSA-N
MW584.62 g/mol
LogP7.10
Rot. Bonds6

About N-[3-fluoro-4-[[6-(2-methyloxocan-4-yl)-1H-indazol-5-yl]oxy]phenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide

N-[3-fluoro-4-[[6-(2-methyloxocan-4-yl)-1H-indazol-5-yl]oxy]phenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide (PubChem CID 91171570) has the molecular formula C33H30F2N4O4 and a molecular weight of 584.62 g/mol. Its IUPAC name is N-[3-fluoro-4-[[6-(2-methyloxocan-4-yl)-1H-indazol-5-yl]oxy]phenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-fluoro-4-[[6-(2-methyloxocan-4-yl)-1H-indazol-5-yl]oxy]phenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide
PubChem CID91171570
Molecular FormulaC33H30F2N4O4
Molecular Weight584.62 g/mol
Exact Mass584.22
IUPAC NameN-[3-fluoro-4-[[6-(2-methyloxocan-4-yl)-1H-indazol-5-yl]oxy]phenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide
SMILESCC1CC(c2cc3[nH]ncc3cc2Oc2ccc(NC(=O)c3cccn(-c4ccc(F)cc4)c3=O)cc2F)CCCCO1
InChIInChI=1S/C33H30F2N4O4/c1-20-15-21(5-2-3-14-42-20)27-18-29-22(19-36-38-29)16-31(27)43-30-12-9-24(17-28(30)35)37-32(40)26-6-4-13-39(33(26)41)25-10-7-23(34)8-11-25/h4,6-13,16-21H,2-3,5,14-15H2,1H3,(H,36,38)(H,37,40)
InChIKeyKIYKDXWVMHURNH-UHFFFAOYSA-N
XLogP7.10
TPSA98.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500584.62
LogP ≤ 57.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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
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
1-(4-fluorophenyl)-N-[3-fluoro-4-[6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]-2-oxopyridine-3-carboxamide
CID 118197847
1-(4-fluorophenyl)-N-[3-fluoro-4-(6-pyridin-4-ylpyrazolo[1,5-a]pyridin-4-yl)oxyphenyl]-2-oxopyridine-3-carboxamide
CID 118203931
N-[4-[(6-amino-1H-indazol-5-yl)oxy]-3-fluorophenyl]-6-methyl-2-oxo-1-phenylpyridine-3-carboxamide
CID 59159924
N-[4-[[6-(6-amino-3-pyridinyl)-1H-indazol-5-yl]oxy]-3-fluorophenyl]-2-(4-fluorophenyl)-3-oxopyridazine-4-carboxamide
CID 59159932
N-[4-[[3-(2-aminoethylamino)-4-pyridinyl]oxy]-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide
CID 46852479
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-[4-[(2-amino-3-prop-1-ynyl-4-pyridinyl)oxy]-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide
CID 155555771
N-[4-[2-(cyclopropanecarbonylamino)-3-fluoroimidazo[1,2-a]pyridin-6-yl]oxy-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide
CID 143889995
N-[3-fluoro-4-[(5-methoxy-2,3,10a,10b-tetrahydro-[1,4]dioxino[2,3-f]quinazolin-10-yl)oxy]phenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide
CID 166717006
1-(4-fluorophenyl)-N-[3-fluoro-4-[[6-propan-2-ylidene-1-[(Z)-prop-1-enyl]-1,2,4-triazin-5-yl]oxy]phenyl]-2-oxopyridine-3-carboxamide
CID 143480769

Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-4-[[6-(2-methyloxocan-4-yl)-1H-indazol-5-yl]oxy]phenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide?
The IUPAC name of N-[3-fluoro-4-[[6-(2-methyloxocan-4-yl)-1H-indazol-5-yl]oxy]phenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide (CID 91171570) is N-[3-fluoro-4-[[6-(2-methyloxocan-4-yl)-1H-indazol-5-yl]oxy]phenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide.
What is the SMILES notation for N-[3-fluoro-4-[[6-(2-methyloxocan-4-yl)-1H-indazol-5-yl]oxy]phenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide?
The canonical SMILES for N-[3-fluoro-4-[[6-(2-methyloxocan-4-yl)-1H-indazol-5-yl]oxy]phenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide is CC1CC(c2cc3[nH]ncc3cc2Oc2ccc(NC(=O)c3cccn(-c4ccc(F)cc4)c3=O)cc2F)CCCCO1.
What is the InChIKey of N-[3-fluoro-4-[[6-(2-methyloxocan-4-yl)-1H-indazol-5-yl]oxy]phenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide?
The InChIKey is KIYKDXWVMHURNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H30F2N4O4/c1-20-15-21(5-2-3-14-42-20)27-18-29-22(19-36-38-29)16-31(27)43-30-12-9-24(17-28(30)35)37-32(40)26-6-4-13-39(33(26)41)25-10-7-23(34)8-11-25/h4,6-13,16-21H,2-3,5,14-15H2,1H3,(H,36,38)(H,37,40).
What are the key properties of N-[3-fluoro-4-[[6-(2-methyloxocan-4-yl)-1H-indazol-5-yl]oxy]phenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide?
N-[3-fluoro-4-[[6-(2-methyloxocan-4-yl)-1H-indazol-5-yl]oxy]phenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide has a molecular weight of 584.62 g/mol, XLogP of 7.10, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-4-[[6-(2-methyloxocan-4-yl)-1H-indazol-5-yl]oxy]phenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 91171570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).