(1S,2S)-2-amino-1-phenylpropane-1,3-diol;deuterio(fluoro)methane;N-[5-[[(1S,2S)-1,3-dihydroxy-1-phenylpropan-2-yl]carbamoyl]-2-fluorophenyl]-7-methylimidazo[1,2-a]pyridine-3-carboxamide;4-fluoro-3-[(7-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]benzoic acid;molecular fluorine;hydrofluoride

C51H52F130N8O9 — CID 161161949

IUPAC(1S,2S)-2-amino-1-phenylpropane-1,3-diol;deuterio(fluoro)methane;N-[5-[[(1S,2S)-1,3-dihydroxy-1-phenylpropan-2-yl]carbamoyl]-2-fluorophenyl]-7-methylimidazo[1,2-a]pyridine-3-carboxamide;4-fluoro-3-[(7-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]benzoic acid;molecular fluorine;hydrofluoride
SMILESCc1ccn2c(C(=O)Nc3cc(C(=O)N[C@@H](CO)[C@@H](O)c4ccccc4)ccc3F)cnc2c1.Cc1ccn2c(C(=O)Nc3cc(C(=O)O)ccc3F)cnc2c1.F.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.N[C@@H](CO)[C@@H](O)c1ccccc1.[2H]CF
InChIInChI=1S/C25H23FN4O4.C16H12FN3O3.C9H13NO2.CH3F.63F2.FH/c1-15-9-10-30-21(13-27-22(30)11-15)25(34)28-19-12-17(7-8-18(19)26)24(33)29-20(14-31)23(32)16-5-3-2-4-6-16;1-9-4-5-20-13(8-18-14(20)6-9)15(21)19-12-7-10(16(22)23)2-3-11(12)17;10-8(6-11)9(12)7-4-2-1-3-5-7;64*1-2;/h2-13,20,23,31-32H,14H2,1H3,(H,28,34)(H,29,33);2-8H,1H3,(H,19,21)(H,22,23);1-5,8-9,11-12H,6,10H2;1H3;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;1H/t20-,23-;;8-,9-;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/m0.0................................................................./s1/i;;;1D;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
InChIKeyUQAMWWHTPIJSCF-POZPLRPTSA-N
MW3391.77 g/mol
LogP59.31
Rot. Bonds13

About (1S,2S)-2-amino-1-phenylpropane-1,3-diol;deuterio(fluoro)methane;N-[5-[[(1S,2S)-1,3-dihydroxy-1-phenylpropan-2-yl]carbamoyl]-2-fluorophenyl]-7-methylimidazo[1,2-a]pyridine-3-carboxamide;4-fluoro-3-[(7-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]benzoic acid;molecular fluorine;hydrofluoride

(1S,2S)-2-amino-1-phenylpropane-1,3-diol;deuterio(fluoro)methane;N-[5-[[(1S,2S)-1,3-dihydroxy-1-phenylpropan-2-yl]carbamoyl]-2-fluorophenyl]-7-methylimidazo[1,2-a]pyridine-3-carboxamide;4-fluoro-3-[(7-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]benzoic acid;molecular fluorine;hydrofluoride (PubChem CID 161161949) has the molecular formula C51H52F130N8O9 and a molecular weight of 3391.77 g/mol. Its IUPAC name is (1S,2S)-2-amino-1-phenylpropane-1,3-diol;deuterio(fluoro)methane;N-[5-[[(1S,2S)-1,3-dihydroxy-1-phenylpropan-2-yl]carbamoyl]-2-fluorophenyl]-7-methylimidazo[1,2-a]pyridine-3-carboxamide;4-fluoro-3-[(7-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]benzoic acid;molecular fluorine;hydrofluoride.

Molecular Properties

Compound Name(1S,2S)-2-amino-1-phenylpropane-1,3-diol;deuterio(fluoro)methane;N-[5-[[(1S,2S)-1,3-dihydroxy-1-phenylpropan-2-yl]carbamoyl]-2-fluorophenyl]-7-methylimidazo[1,2-a]pyridine-3-carboxamide;4-fluoro-3-[(7-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]benzoic acid;molecular fluorine;hydrofluoride
PubChem CID161161949
Molecular FormulaC51H52F130N8O9
Molecular Weight3391.77 g/mol
Exact Mass3391.18
IUPAC Name(1S,2S)-2-amino-1-phenylpropane-1,3-diol;deuterio(fluoro)methane;N-[5-[[(1S,2S)-1,3-dihydroxy-1-phenylpropan-2-yl]carbamoyl]-2-fluorophenyl]-7-methylimidazo[1,2-a]pyridine-3-carboxamide;4-fluoro-3-[(7-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]benzoic acid;molecular fluorine;hydrofluoride
SMILESCc1ccn2c(C(=O)Nc3cc(C(=O)N[C@@H](CO)[C@@H](O)c4ccccc4)ccc3F)cnc2c1.Cc1ccn2c(C(=O)Nc3cc(C(=O)O)ccc3F)cnc2c1.F.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.N[C@@H](CO)[C@@H](O)c1ccccc1.[2H]CF
InChIInChI=1S/C25H23FN4O4.C16H12FN3O3.C9H13NO2.CH3F.63F2.FH/c1-15-9-10-30-21(13-27-22(30)11-15)25(34)28-19-12-17(7-8-18(19)26)24(33)29-20(14-31)23(32)16-5-3-2-4-6-16;1-9-4-5-20-13(8-18-14(20)6-9)15(21)19-12-7-10(16(22)23)2-3-11(12)17;10-8(6-11)9(12)7-4-2-1-3-5-7;64*1-2;/h2-13,20,23,31-32H,14H2,1H3,(H,28,34)(H,29,33);2-8H,1H3,(H,19,21)(H,22,23);1-5,8-9,11-12H,6,10H2;1H3;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;1H/t20-,23-;;8-,9-;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/m0.0................................................................./s1/i;;;1D;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
InChIKeyUQAMWWHTPIJSCF-POZPLRPTSA-N
XLogP59.31
TPSA266.14 Ų
H-Bond Donors9
H-Bond Acceptors13
Rotatable Bonds13
Heavy Atoms198
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003391.77
LogP ≤ 559.31
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1013

Analyze (1S,2S)-2-amino-1-phenylpropane-1,3-diol;deuterio(fluoro)methane;N-[5-[[(1S,2S)-1,3-dihydroxy-1-phenylpropan-2-yl]carbamoyl]-2-fluorophenyl]-7-methylimidazo[1,2-a]pyridine-3-carboxamide;4-fluoro-3-[(7-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]benzoic acid;molecular fluorine;hydrofluoride with MolForge

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Related Compounds

N-[5-[(1,3-dihydroxy-1-phenylpropan-2-yl)carbamoyl]-2-fluorophenyl]-7-(2-methylpyrazol-3-yl)imidazo[1,2-a]pyridine-3-carboxamide
CID 78048580
N-[5-[[2-(4-chlorophenyl)-2-hydroxyethyl]carbamoyl]-2-fluorophenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 78048635
7-methylimidazo[1,2-a]pyridine-3-carbohydrazide
CID 162421003
N-[5-(benzylcarbamoyl)-2-fluorophenyl]-6-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 123779171
N-[5-(cyclopentylcarbamoyl)-2-fluorophenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 71292506
4-fluoro-3-formamido-N-(1-hydroxy-1-phenylpropan-2-yl)benzamide;3-methylimidazo[1,2-a]pyridine
CID 144548145
7-fluoro-N-[2-fluoro-5-[(2-hydroxy-2,3-dihydro-1H-inden-1-yl)carbamoyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 78048576
7-bromo-N-[2-fluoro-5-[[2-(4-methylpiperazin-1-yl)phenyl]methylcarbamoyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 71283095
N-[2-fluoro-5-[(2-hydroxy-2,3-dihydro-1H-inden-1-yl)carbamoyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 78048591
N-[2-fluoro-5-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamoyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 71283125
N-[2-fluoro-5-[(2-hydroxy-2,3-dihydro-1H-inden-1-yl)carbamoyl]phenyl]-7-morpholin-4-ylimidazo[1,2-a]pyridine-3-carboxamide
CID 78048611
4-[3-(3-amino-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-2-ol;N-[5-[5-(3-hydroxy-3-methylbutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-methylimidazo[1,2-a]pyridine-3-carboxamide;7-methylimidazo[1,2-a]pyridine-3-carboxylic acid;molecular fluorine;hydrofluoride
CID 160533005

Frequently Asked Questions

What is the IUPAC name of (1S,2S)-2-amino-1-phenylpropane-1,3-diol;deuterio(fluoro)methane;N-[5-[[(1S,2S)-1,3-dihydroxy-1-phenylpropan-2-yl]carbamoyl]-2-fluorophenyl]-7-methylimidazo[1,2-a]pyridine-3-carboxamide;4-fluoro-3-[(7-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]benzoic acid;molecular fluorine;hydrofluoride?
The IUPAC name of (1S,2S)-2-amino-1-phenylpropane-1,3-diol;deuterio(fluoro)methane;N-[5-[[(1S,2S)-1,3-dihydroxy-1-phenylpropan-2-yl]carbamoyl]-2-fluorophenyl]-7-methylimidazo[1,2-a]pyridine-3-carboxamide;4-fluoro-3-[(7-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]benzoic acid;molecular fluorine;hydrofluoride (CID 161161949) is (1S,2S)-2-amino-1-phenylpropane-1,3-diol;deuterio(fluoro)methane;N-[5-[[(1S,2S)-1,3-dihydroxy-1-phenylpropan-2-yl]carbamoyl]-2-fluorophenyl]-7-methylimidazo[1,2-a]pyridine-3-carboxamide;4-fluoro-3-[(7-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]benzoic acid;molecular fluorine;hydrofluoride.
What is the SMILES notation for (1S,2S)-2-amino-1-phenylpropane-1,3-diol;deuterio(fluoro)methane;N-[5-[[(1S,2S)-1,3-dihydroxy-1-phenylpropan-2-yl]carbamoyl]-2-fluorophenyl]-7-methylimidazo[1,2-a]pyridine-3-carboxamide;4-fluoro-3-[(7-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]benzoic acid;molecular fluorine;hydrofluoride?
The canonical SMILES for (1S,2S)-2-amino-1-phenylpropane-1,3-diol;deuterio(fluoro)methane;N-[5-[[(1S,2S)-1,3-dihydroxy-1-phenylpropan-2-yl]carbamoyl]-2-fluorophenyl]-7-methylimidazo[1,2-a]pyridine-3-carboxamide;4-fluoro-3-[(7-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]benzoic acid;molecular fluorine;hydrofluoride is Cc1ccn2c(C(=O)Nc3cc(C(=O)N[C@@H](CO)[C@@H](O)c4ccccc4)ccc3F)cnc2c1.Cc1ccn2c(C(=O)Nc3cc(C(=O)O)ccc3F)cnc2c1.F.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.N[C@@H](CO)[C@@H](O)c1ccccc1.[2H]CF.
What is the InChIKey of (1S,2S)-2-amino-1-phenylpropane-1,3-diol;deuterio(fluoro)methane;N-[5-[[(1S,2S)-1,3-dihydroxy-1-phenylpropan-2-yl]carbamoyl]-2-fluorophenyl]-7-methylimidazo[1,2-a]pyridine-3-carboxamide;4-fluoro-3-[(7-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]benzoic acid;molecular fluorine;hydrofluoride?
The InChIKey is UQAMWWHTPIJSCF-POZPLRPTSA-N. The full InChI is InChI=1S/C25H23FN4O4.C16H12FN3O3.C9H13NO2.CH3F.63F2.FH/c1-15-9-10-30-21(13-27-22(30)11-15)25(34)28-19-12-17(7-8-18(19)26)24(33)29-20(14-31)23(32)16-5-3-2-4-6-16;1-9-4-5-20-13(8-18-14(20)6-9)15(21)19-12-7-10(16(22)23)2-3-11(12)17;10-8(6-11)9(12)7-4-2-1-3-5-7;64*1-2;/h2-13,20,23,31-32H,14H2,1H3,(H,28,34)(H,29,33);2-8H,1H3,(H,19,21)(H,22,23);1-5,8-9,11-12H,6,10H2;1H3;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;1H/t20-,23-;;8-,9-;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/m0.0................................................................./s1/i;;;1D;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;.
What are the key properties of (1S,2S)-2-amino-1-phenylpropane-1,3-diol;deuterio(fluoro)methane;N-[5-[[(1S,2S)-1,3-dihydroxy-1-phenylpropan-2-yl]carbamoyl]-2-fluorophenyl]-7-methylimidazo[1,2-a]pyridine-3-carboxamide;4-fluoro-3-[(7-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]benzoic acid;molecular fluorine;hydrofluoride?
(1S,2S)-2-amino-1-phenylpropane-1,3-diol;deuterio(fluoro)methane;N-[5-[[(1S,2S)-1,3-dihydroxy-1-phenylpropan-2-yl]carbamoyl]-2-fluorophenyl]-7-methylimidazo[1,2-a]pyridine-3-carboxamide;4-fluoro-3-[(7-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]benzoic acid;molecular fluorine;hydrofluoride has a molecular weight of 3391.77 g/mol, XLogP of 59.31, 13 rotatable bonds, 9 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-2-amino-1-phenylpropane-1,3-diol;deuterio(fluoro)methane;N-[5-[[(1S,2S)-1,3-dihydroxy-1-phenylpropan-2-yl]carbamoyl]-2-fluorophenyl]-7-methylimidazo[1,2-a]pyridine-3-carboxamide;4-fluoro-3-[(7-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]benzoic acid;molecular fluorine;hydrofluoride is sourced from PubChem (CID 161161949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).