N-[(6-acetamido-3-pyridinyl)methyl]-1-(4-fluorophenyl)indazole-4-carboxamide;N-[(6-amino-3-pyridinyl)methyl]-1-(4-fluorophenyl)indazole-4-carboxamide;deuterio(fluoro)methane

C43H37F3N10O3 — CID 158165313

IUPACN-[(6-acetamido-3-pyridinyl)methyl]-1-(4-fluorophenyl)indazole-4-carboxamide;N-[(6-amino-3-pyridinyl)methyl]-1-(4-fluorophenyl)indazole-4-carboxamide;deuterio(fluoro)methane
SMILESCC(=O)Nc1ccc(CNC(=O)c2cccc3c2cnn3-c2ccc(F)cc2)cn1.Nc1ccc(CNC(=O)c2cccc3c2cnn3-c2ccc(F)cc2)cn1.[2H]CF
InChIInChI=1S/C22H18FN5O2.C20H16FN5O.CH3F/c1-14(29)27-21-10-5-15(11-24-21)12-25-22(30)18-3-2-4-20-19(18)13-26-28(20)17-8-6-16(23)7-9-17;21-14-5-7-15(8-6-14)26-18-3-1-2-16(17(18)12-25-26)20(27)24-11-13-4-9-19(22)23-10-13;1-2/h2-11,13H,12H2,1H3,(H,25,30)(H,24,27,29);1-10,12H,11H2,(H2,22,23)(H,24,27);1H3/i;;1D
InChIKeyFWTPBZIILKSJRK-PRQZKWGPSA-N
MW799.84 g/mol
LogP7.11
Rot. Bonds9

About N-[(6-acetamido-3-pyridinyl)methyl]-1-(4-fluorophenyl)indazole-4-carboxamide;N-[(6-amino-3-pyridinyl)methyl]-1-(4-fluorophenyl)indazole-4-carboxamide;deuterio(fluoro)methane

N-[(6-acetamido-3-pyridinyl)methyl]-1-(4-fluorophenyl)indazole-4-carboxamide;N-[(6-amino-3-pyridinyl)methyl]-1-(4-fluorophenyl)indazole-4-carboxamide;deuterio(fluoro)methane (PubChem CID 158165313) has the molecular formula C43H37F3N10O3 and a molecular weight of 799.84 g/mol. Its IUPAC name is N-[(6-acetamido-3-pyridinyl)methyl]-1-(4-fluorophenyl)indazole-4-carboxamide;N-[(6-amino-3-pyridinyl)methyl]-1-(4-fluorophenyl)indazole-4-carboxamide;deuterio(fluoro)methane.

Molecular Properties

Compound NameN-[(6-acetamido-3-pyridinyl)methyl]-1-(4-fluorophenyl)indazole-4-carboxamide;N-[(6-amino-3-pyridinyl)methyl]-1-(4-fluorophenyl)indazole-4-carboxamide;deuterio(fluoro)methane
PubChem CID158165313
Molecular FormulaC43H37F3N10O3
Molecular Weight799.84 g/mol
Exact Mass799.31
IUPAC NameN-[(6-acetamido-3-pyridinyl)methyl]-1-(4-fluorophenyl)indazole-4-carboxamide;N-[(6-amino-3-pyridinyl)methyl]-1-(4-fluorophenyl)indazole-4-carboxamide;deuterio(fluoro)methane
SMILESCC(=O)Nc1ccc(CNC(=O)c2cccc3c2cnn3-c2ccc(F)cc2)cn1.Nc1ccc(CNC(=O)c2cccc3c2cnn3-c2ccc(F)cc2)cn1.[2H]CF
InChIInChI=1S/C22H18FN5O2.C20H16FN5O.CH3F/c1-14(29)27-21-10-5-15(11-24-21)12-25-22(30)18-3-2-4-20-19(18)13-26-28(20)17-8-6-16(23)7-9-17;21-14-5-7-15(8-6-14)26-18-3-1-2-16(17(18)12-25-26)20(27)24-11-13-4-9-19(22)23-10-13;1-2/h2-11,13H,12H2,1H3,(H,25,30)(H,24,27,29);1-10,12H,11H2,(H2,22,23)(H,24,27);1H3/i;;1D
InChIKeyFWTPBZIILKSJRK-PRQZKWGPSA-N
XLogP7.11
TPSA174.74 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500799.84
LogP ≤ 57.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

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Related Compounds

1-(4-fluorophenyl)-N-[(6-methyl-3-pyridinyl)methyl]indazole-4-carboxamide
CID 143887681
N-[(6-ethynyl-3-pyridinyl)methyl]-1-(4-fluorophenyl)indazole-4-carboxamide
CID 58138813
1-[1-(4-fluorophenyl)indazol-4-yl]-N-[(6-methyl-3-pyridinyl)methyl]ethenamine;formaldehyde
CID 143887583
1-(4-fluorophenyl)-N-[(2-hydroxy-4-methylphenyl)methyl]indazole-4-carboxamide
CID 143887635
1-(4-fluorophenyl)-N-[[2-(2-oxopropylamino)pyrimidin-5-yl]methyl]pyrazolo[5,4-c]pyridine-4-carboxamide
CID 67308536
1-(4-fluorophenyl)indazole-4-carboxylic acid
CID 58138774
2-[[5-[[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]methyl]-2-pyridinyl]sulfonyl-methylamino]ethyl acetate
CID 59278469
N-[(5-bromo-3-pyridinyl)methyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide
CID 45138157
N-[[4-[ethyl(methyl)sulfamoyl]phenyl]methyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide
CID 123317370
4-[[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]methyl]pyridine-2-sulfinic acid
CID 59278111
1-(4-fluorophenyl)-N-[[6-(oxan-4-ylsulfamoyl)-3-pyridinyl]methyl]pyrazolo[5,4-c]pyridine-4-carboxamide
CID 59278129
2-[[4-[[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]methyl]-2-pyridinyl]sulfonyl]ethyl acetate
CID 150312296

Frequently Asked Questions

What is the IUPAC name of N-[(6-acetamido-3-pyridinyl)methyl]-1-(4-fluorophenyl)indazole-4-carboxamide;N-[(6-amino-3-pyridinyl)methyl]-1-(4-fluorophenyl)indazole-4-carboxamide;deuterio(fluoro)methane?
The IUPAC name of N-[(6-acetamido-3-pyridinyl)methyl]-1-(4-fluorophenyl)indazole-4-carboxamide;N-[(6-amino-3-pyridinyl)methyl]-1-(4-fluorophenyl)indazole-4-carboxamide;deuterio(fluoro)methane (CID 158165313) is N-[(6-acetamido-3-pyridinyl)methyl]-1-(4-fluorophenyl)indazole-4-carboxamide;N-[(6-amino-3-pyridinyl)methyl]-1-(4-fluorophenyl)indazole-4-carboxamide;deuterio(fluoro)methane.
What is the SMILES notation for N-[(6-acetamido-3-pyridinyl)methyl]-1-(4-fluorophenyl)indazole-4-carboxamide;N-[(6-amino-3-pyridinyl)methyl]-1-(4-fluorophenyl)indazole-4-carboxamide;deuterio(fluoro)methane?
The canonical SMILES for N-[(6-acetamido-3-pyridinyl)methyl]-1-(4-fluorophenyl)indazole-4-carboxamide;N-[(6-amino-3-pyridinyl)methyl]-1-(4-fluorophenyl)indazole-4-carboxamide;deuterio(fluoro)methane is CC(=O)Nc1ccc(CNC(=O)c2cccc3c2cnn3-c2ccc(F)cc2)cn1.Nc1ccc(CNC(=O)c2cccc3c2cnn3-c2ccc(F)cc2)cn1.[2H]CF.
What is the InChIKey of N-[(6-acetamido-3-pyridinyl)methyl]-1-(4-fluorophenyl)indazole-4-carboxamide;N-[(6-amino-3-pyridinyl)methyl]-1-(4-fluorophenyl)indazole-4-carboxamide;deuterio(fluoro)methane?
The InChIKey is FWTPBZIILKSJRK-PRQZKWGPSA-N. The full InChI is InChI=1S/C22H18FN5O2.C20H16FN5O.CH3F/c1-14(29)27-21-10-5-15(11-24-21)12-25-22(30)18-3-2-4-20-19(18)13-26-28(20)17-8-6-16(23)7-9-17;21-14-5-7-15(8-6-14)26-18-3-1-2-16(17(18)12-25-26)20(27)24-11-13-4-9-19(22)23-10-13;1-2/h2-11,13H,12H2,1H3,(H,25,30)(H,24,27,29);1-10,12H,11H2,(H2,22,23)(H,24,27);1H3/i;;1D.
What are the key properties of N-[(6-acetamido-3-pyridinyl)methyl]-1-(4-fluorophenyl)indazole-4-carboxamide;N-[(6-amino-3-pyridinyl)methyl]-1-(4-fluorophenyl)indazole-4-carboxamide;deuterio(fluoro)methane?
N-[(6-acetamido-3-pyridinyl)methyl]-1-(4-fluorophenyl)indazole-4-carboxamide;N-[(6-amino-3-pyridinyl)methyl]-1-(4-fluorophenyl)indazole-4-carboxamide;deuterio(fluoro)methane has a molecular weight of 799.84 g/mol, XLogP of 7.11, 9 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-acetamido-3-pyridinyl)methyl]-1-(4-fluorophenyl)indazole-4-carboxamide;N-[(6-amino-3-pyridinyl)methyl]-1-(4-fluorophenyl)indazole-4-carboxamide;deuterio(fluoro)methane is sourced from PubChem (CID 158165313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).