6-(difluoromethoxy)-1-(4-fluorophenyl)-N-[3-fluoro-4-[[8-(1H-pyrazol-4-yl)-3,4-diazatricyclo[5.3.1.04,11]undeca-1(10),2,5,7(11),8-pentaen-9-yl]oxy]phenyl]-2-oxopyridine-3-carboxamide

C31H18F4N6O4 — CID 162623094

IUPAC6-(difluoromethoxy)-1-(4-fluorophenyl)-N-[3-fluoro-4-[[8-(1H-pyrazol-4-yl)-3,4-diazatricyclo[5.3.1.04,11]undeca-1(10),2,5,7(11),8-pentaen-9-yl]oxy]phenyl]-2-oxopyridine-3-carboxamide
SMILESO=C(Nc1ccc(Oc2cc3cnn4ccc(c2-c2cn[nH]c2)c34)c(F)c1)c1ccc(OC(F)F)n(-c2ccc(F)cc2)c1=O
InChIInChI=1S/C31H18F4N6O4/c32-18-1-4-20(5-2-18)41-26(45-31(34)35)8-6-22(30(41)43)29(42)39-19-3-7-24(23(33)12-19)44-25-11-16-15-38-40-10-9-21(28(16)40)27(25)17-13-36-37-14-17/h1-15,31H,(H,36,37)(H,39,42)
InChIKeyMGHZMQXVFDOCHI-UHFFFAOYSA-N
MW614.52 g/mol
LogP6.39
Rot. Bonds8

About 6-(difluoromethoxy)-1-(4-fluorophenyl)-N-[3-fluoro-4-[[8-(1H-pyrazol-4-yl)-3,4-diazatricyclo[5.3.1.04,11]undeca-1(10),2,5,7(11),8-pentaen-9-yl]oxy]phenyl]-2-oxopyridine-3-carboxamide

6-(difluoromethoxy)-1-(4-fluorophenyl)-N-[3-fluoro-4-[[8-(1H-pyrazol-4-yl)-3,4-diazatricyclo[5.3.1.04,11]undeca-1(10),2,5,7(11),8-pentaen-9-yl]oxy]phenyl]-2-oxopyridine-3-carboxamide (PubChem CID 162623094) has the molecular formula C31H18F4N6O4 and a molecular weight of 614.52 g/mol. Its IUPAC name is 6-(difluoromethoxy)-1-(4-fluorophenyl)-N-[3-fluoro-4-[[8-(1H-pyrazol-4-yl)-3,4-diazatricyclo[5.3.1.04,11]undeca-1(10),2,5,7(11),8-pentaen-9-yl]oxy]phenyl]-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name6-(difluoromethoxy)-1-(4-fluorophenyl)-N-[3-fluoro-4-[[8-(1H-pyrazol-4-yl)-3,4-diazatricyclo[5.3.1.04,11]undeca-1(10),2,5,7(11),8-pentaen-9-yl]oxy]phenyl]-2-oxopyridine-3-carboxamide
PubChem CID162623094
Molecular FormulaC31H18F4N6O4
Molecular Weight614.52 g/mol
Exact Mass614.13
IUPAC Name6-(difluoromethoxy)-1-(4-fluorophenyl)-N-[3-fluoro-4-[[8-(1H-pyrazol-4-yl)-3,4-diazatricyclo[5.3.1.04,11]undeca-1(10),2,5,7(11),8-pentaen-9-yl]oxy]phenyl]-2-oxopyridine-3-carboxamide
SMILESO=C(Nc1ccc(Oc2cc3cnn4ccc(c2-c2cn[nH]c2)c34)c(F)c1)c1ccc(OC(F)F)n(-c2ccc(F)cc2)c1=O
InChIInChI=1S/C31H18F4N6O4/c32-18-1-4-20(5-2-18)41-26(45-31(34)35)8-6-22(30(41)43)29(42)39-19-3-7-24(23(33)12-19)44-25-11-16-15-38-40-10-9-21(28(16)40)27(25)17-13-36-37-14-17/h1-15,31H,(H,36,37)(H,39,42)
InChIKeyMGHZMQXVFDOCHI-UHFFFAOYSA-N
XLogP6.39
TPSA115.54 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500614.52
LogP ≤ 56.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 6-(difluoromethoxy)-1-(4-fluorophenyl)-N-[3-fluoro-4-[[8-(1H-pyrazol-4-yl)-3,4-diazatricyclo[5.3.1.04,11]undeca-1(10),2,5,7(11),8-pentaen-9-yl]oxy]phenyl]-2-oxopyridine-3-carboxamide with MolForge

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Related Compounds

6-cyclopropyloxy-1-(4-fluorophenyl)-N-[3-fluoro-4-[[8-(1H-pyrazol-4-yl)-3,4-diazatricyclo[5.3.1.04,11]undeca-1(10),2,7(11),8-tetraen-9-yl]oxy]phenyl]-2-oxopyridine-3-carboxamide;6-ethoxy-1-(4-fluorophenyl)-N-[3-fluoro-4-[[8-(1H-pyrazol-4-yl)-3,4-diazatricyclo[5.3.1.04,11]undeca-1(10),2,7(11),8-tetraen-9-yl]oxy]phenyl]-2-oxopyridine-3-carboxamide;1-(4-fluorophenyl)-N-[3-fluoro-4-[[8-(1H-pyrazol-4-yl)-3,4-diazatricyclo[5.3.1.04,11]undeca-1(10),2,7(11),8-tetraen-9-yl]oxy]phenyl]-6-methyl-2-oxopyridine-3-carboxamide
CID 167638419
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
tert-butyl 4-[9-[2-fluoro-4-[[1-(4-fluorophenyl)-6-methoxy-2-oxopyridine-3-carbonyl]amino]phenoxy]-3,4-diazatricyclo[5.3.1.04,11]undeca-1(11),2,7,9-tetraen-10-yl]pyrazole-1-carboxylate
CID 156579536
tert-butyl 4-[5-[2-fluoro-4-[[1-(4-fluorophenyl)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopyridine-3-carbonyl]amino]phenoxy]-1-methylindazol-6-yl]pyrazole-1-carboxylate
CID 150134218
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-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxyphenyl]-2-(4-fluorophenyl)-4-propan-2-yl-1,3,2,4-dioxadiazine-6-carboxamide
CID 171854636
N-[4-[[6-(6-amino-3-pyridinyl)-1H-indazol-5-yl]oxy]-3-fluorophenyl]-2-(4-fluorophenyl)-3-oxopyridazine-4-carboxamide
CID 59159932
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-(4,4-difluoropiperidin-1-yl)pyrazolo[1,5-a]pyridin-4-yl]oxy-3-fluorophenyl]-3-(4-fluorophenyl)-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxamide
CID 118197811
4-[2-fluoro-4-[[3-(4-fluorophenyl)-2,4-dioxo-1-propan-2-ylpyrimidine-5-carbonyl]amino]phenoxy]-N,N-dimethylpyrazolo[1,5-a]pyridine-6-carboxamide
CID 118203827
N-[3-fluoro-4-[[3-(1-methoxypropan-2-ylamino)-1H-pyrazolo[3,4-b]pyridin-4-yl]oxy]phenyl]-1-(4-fluorophenyl)-6-methyl-2-oxopyridine-3-carboxamide
CID 146441777

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethoxy)-1-(4-fluorophenyl)-N-[3-fluoro-4-[[8-(1H-pyrazol-4-yl)-3,4-diazatricyclo[5.3.1.04,11]undeca-1(10),2,5,7(11),8-pentaen-9-yl]oxy]phenyl]-2-oxopyridine-3-carboxamide?
The IUPAC name of 6-(difluoromethoxy)-1-(4-fluorophenyl)-N-[3-fluoro-4-[[8-(1H-pyrazol-4-yl)-3,4-diazatricyclo[5.3.1.04,11]undeca-1(10),2,5,7(11),8-pentaen-9-yl]oxy]phenyl]-2-oxopyridine-3-carboxamide (CID 162623094) is 6-(difluoromethoxy)-1-(4-fluorophenyl)-N-[3-fluoro-4-[[8-(1H-pyrazol-4-yl)-3,4-diazatricyclo[5.3.1.04,11]undeca-1(10),2,5,7(11),8-pentaen-9-yl]oxy]phenyl]-2-oxopyridine-3-carboxamide.
What is the SMILES notation for 6-(difluoromethoxy)-1-(4-fluorophenyl)-N-[3-fluoro-4-[[8-(1H-pyrazol-4-yl)-3,4-diazatricyclo[5.3.1.04,11]undeca-1(10),2,5,7(11),8-pentaen-9-yl]oxy]phenyl]-2-oxopyridine-3-carboxamide?
The canonical SMILES for 6-(difluoromethoxy)-1-(4-fluorophenyl)-N-[3-fluoro-4-[[8-(1H-pyrazol-4-yl)-3,4-diazatricyclo[5.3.1.04,11]undeca-1(10),2,5,7(11),8-pentaen-9-yl]oxy]phenyl]-2-oxopyridine-3-carboxamide is O=C(Nc1ccc(Oc2cc3cnn4ccc(c2-c2cn[nH]c2)c34)c(F)c1)c1ccc(OC(F)F)n(-c2ccc(F)cc2)c1=O.
What is the InChIKey of 6-(difluoromethoxy)-1-(4-fluorophenyl)-N-[3-fluoro-4-[[8-(1H-pyrazol-4-yl)-3,4-diazatricyclo[5.3.1.04,11]undeca-1(10),2,5,7(11),8-pentaen-9-yl]oxy]phenyl]-2-oxopyridine-3-carboxamide?
The InChIKey is MGHZMQXVFDOCHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H18F4N6O4/c32-18-1-4-20(5-2-18)41-26(45-31(34)35)8-6-22(30(41)43)29(42)39-19-3-7-24(23(33)12-19)44-25-11-16-15-38-40-10-9-21(28(16)40)27(25)17-13-36-37-14-17/h1-15,31H,(H,36,37)(H,39,42).
What are the key properties of 6-(difluoromethoxy)-1-(4-fluorophenyl)-N-[3-fluoro-4-[[8-(1H-pyrazol-4-yl)-3,4-diazatricyclo[5.3.1.04,11]undeca-1(10),2,5,7(11),8-pentaen-9-yl]oxy]phenyl]-2-oxopyridine-3-carboxamide?
6-(difluoromethoxy)-1-(4-fluorophenyl)-N-[3-fluoro-4-[[8-(1H-pyrazol-4-yl)-3,4-diazatricyclo[5.3.1.04,11]undeca-1(10),2,5,7(11),8-pentaen-9-yl]oxy]phenyl]-2-oxopyridine-3-carboxamide has a molecular weight of 614.52 g/mol, XLogP of 6.39, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethoxy)-1-(4-fluorophenyl)-N-[3-fluoro-4-[[8-(1H-pyrazol-4-yl)-3,4-diazatricyclo[5.3.1.04,11]undeca-1(10),2,5,7(11),8-pentaen-9-yl]oxy]phenyl]-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 162623094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).