6-aminopyridine-3-carboxylic acid;2-[6-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]imidazo[1,2-a]pyridin-3-yl]-N,N-dimethyl-2-oxoacetamide;methanol;methyl 6-aminopyridine-3-carboxylate;thionyl dichloride

C38H43Cl2FN8O9S — CID 158085604

IUPAC6-aminopyridine-3-carboxylic acid;2-[6-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]imidazo[1,2-a]pyridin-3-yl]-N,N-dimethyl-2-oxoacetamide;methanol;methyl 6-aminopyridine-3-carboxylate;thionyl dichloride
SMILESCN(C)C(=O)C(=O)c1cnc2ccc(C(=O)N3CCC(Cc4ccc(F)cc4)CC3)cn12.CO.COC(=O)c1ccc(N)nc1.Nc1ccc(C(=O)O)cn1.O=S(Cl)Cl
InChIInChI=1S/C24H25FN4O3.C7H8N2O2.C6H6N2O2.CH4O.Cl2OS/c1-27(2)24(32)22(30)20-14-26-21-8-5-18(15-29(20)21)23(31)28-11-9-17(10-12-28)13-16-3-6-19(25)7-4-16;1-11-7(10)5-2-3-6(8)9-4-5;7-5-2-1-4(3-8-5)6(9)10;1-2;1-4(2)3/h3-8,14-15,17H,9-13H2,1-2H3;2-4H,1H3,(H2,8,9);1-3H,(H2,7,8)(H,9,10);2H,1H3;
InChIKeyFNLZPYMPFOCPIL-UHFFFAOYSA-N
MW877.78 g/mol
LogP4.30
Rot. Bonds7

About 6-aminopyridine-3-carboxylic acid;2-[6-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]imidazo[1,2-a]pyridin-3-yl]-N,N-dimethyl-2-oxoacetamide;methanol;methyl 6-aminopyridine-3-carboxylate;thionyl dichloride

6-aminopyridine-3-carboxylic acid;2-[6-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]imidazo[1,2-a]pyridin-3-yl]-N,N-dimethyl-2-oxoacetamide;methanol;methyl 6-aminopyridine-3-carboxylate;thionyl dichloride (PubChem CID 158085604) has the molecular formula C38H43Cl2FN8O9S and a molecular weight of 877.78 g/mol. Its IUPAC name is 6-aminopyridine-3-carboxylic acid;2-[6-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]imidazo[1,2-a]pyridin-3-yl]-N,N-dimethyl-2-oxoacetamide;methanol;methyl 6-aminopyridine-3-carboxylate;thionyl dichloride.

Molecular Properties

Compound Name6-aminopyridine-3-carboxylic acid;2-[6-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]imidazo[1,2-a]pyridin-3-yl]-N,N-dimethyl-2-oxoacetamide;methanol;methyl 6-aminopyridine-3-carboxylate;thionyl dichloride
PubChem CID158085604
Molecular FormulaC38H43Cl2FN8O9S
Molecular Weight877.78 g/mol
Exact Mass876.22
IUPAC Name6-aminopyridine-3-carboxylic acid;2-[6-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]imidazo[1,2-a]pyridin-3-yl]-N,N-dimethyl-2-oxoacetamide;methanol;methyl 6-aminopyridine-3-carboxylate;thionyl dichloride
SMILESCN(C)C(=O)C(=O)c1cnc2ccc(C(=O)N3CCC(Cc4ccc(F)cc4)CC3)cn12.CO.COC(=O)c1ccc(N)nc1.Nc1ccc(C(=O)O)cn1.O=S(Cl)Cl
InChIInChI=1S/C24H25FN4O3.C7H8N2O2.C6H6N2O2.CH4O.Cl2OS/c1-27(2)24(32)22(30)20-14-26-21-8-5-18(15-29(20)21)23(31)28-11-9-17(10-12-28)13-16-3-6-19(25)7-4-16;1-11-7(10)5-2-3-6(8)9-4-5;7-5-2-1-4(3-8-5)6(9)10;1-2;1-4(2)3/h3-8,14-15,17H,9-13H2,1-2H3;2-4H,1H3,(H2,8,9);1-3H,(H2,7,8)(H,9,10);2H,1H3;
InChIKeyFNLZPYMPFOCPIL-UHFFFAOYSA-N
XLogP4.30
TPSA253.71 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds7
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500877.78
LogP ≤ 54.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 6-aminopyridine-3-carboxylic acid;2-[6-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]imidazo[1,2-a]pyridin-3-yl]-N,N-dimethyl-2-oxoacetamide;methanol;methyl 6-aminopyridine-3-carboxylate;thionyl dichloride with MolForge

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Related Compounds

US9981944, Example 26
CID 122478540
3-[Acetyl-[5-fluoro-3-[2-[4-[(6-fluoroimidazo[1,2-a]pyridine-2-carbonyl)amino]cyclohexyl]acetyl]-2-pyridinyl]amino]benzoic acid
CID 70295600
6-[(3R)-4-[[(2S,5R)-1-[2-[6-[(4-fluorophenyl)methyl]-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl]-2-oxoethyl]-5-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-2-yl]methyl]-3-methylpiperazin-1-yl]pyridine-3-carboxylic acid
CID 132019660
6-[4-[[(2S,5R)-1-[2-[6-[(4-fluorophenyl)methyl]-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl]-2-oxoethyl]-5-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-2-yl]methyl]-3-methylpiperazin-1-yl]pyridine-3-carboxylic acid
CID 132019663
tert-butyl (2R,5S)-4-[2-[6-[(4-fluorophenyl)methyl]-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl]-2-oxoethyl]-5-[[(2R)-4-(5-methoxycarbonyl-2-pyridinyl)-2-methylpiperazin-1-yl]methyl]-2-methylpiperazine-1-carboxylate
CID 132046004
tert-butyl 4-[2-[6-[(4-fluorophenyl)methyl]-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl]-2-oxoethyl]-5-[[(2R)-4-(5-methoxycarbonyl-2-pyridinyl)-2-methylpiperazin-1-yl]methyl]-2-methylpiperazine-1-carboxylate
CID 138556819
tert-butyl (2S,5S)-4-[2-[6-[(4-fluorophenyl)methyl]-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl]-2-oxoethyl]-5-[[(2R)-4-(5-methoxycarbonyl-2-pyridinyl)-2-methylpiperazin-1-yl]methyl]-2-methylpiperazine-1-carboxylate
CID 138556820
tert-butyl (2R,5S)-4-[2-[6-[(4-fluorophenyl)methyl]-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl]-2-oxoethyl]-5-[[4-(5-methoxycarbonyl-2-pyridinyl)-2-methylpiperazin-1-yl]methyl]-2-methylpiperazine-1-carboxylate
CID 138556821
6-[(3R)-4-[[(2S,5R)-1-[2-[6-[(4-fluorophenyl)methyl]-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl]-2-oxoethyl]-5-methyl-4-propan-2-yloxycarbonylpiperazin-2-yl]methyl]-3-methylpiperazin-1-yl]pyridine-3-carboxylic acid
CID 145386496
Methyl 2-(3-hydroxy-3-methylbutyl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxylate
CID 155166964
methyl 3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxylate;N-[(1S)-1-phenylethyl]-3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxamide
CID 157590680
N-[6-(morpholin-4-ylmethyl)-2-pyridinyl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxamide;2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxylic acid
CID 159024149

Frequently Asked Questions

What is the IUPAC name of 6-aminopyridine-3-carboxylic acid;2-[6-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]imidazo[1,2-a]pyridin-3-yl]-N,N-dimethyl-2-oxoacetamide;methanol;methyl 6-aminopyridine-3-carboxylate;thionyl dichloride?
The IUPAC name of 6-aminopyridine-3-carboxylic acid;2-[6-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]imidazo[1,2-a]pyridin-3-yl]-N,N-dimethyl-2-oxoacetamide;methanol;methyl 6-aminopyridine-3-carboxylate;thionyl dichloride (CID 158085604) is 6-aminopyridine-3-carboxylic acid;2-[6-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]imidazo[1,2-a]pyridin-3-yl]-N,N-dimethyl-2-oxoacetamide;methanol;methyl 6-aminopyridine-3-carboxylate;thionyl dichloride.
What is the SMILES notation for 6-aminopyridine-3-carboxylic acid;2-[6-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]imidazo[1,2-a]pyridin-3-yl]-N,N-dimethyl-2-oxoacetamide;methanol;methyl 6-aminopyridine-3-carboxylate;thionyl dichloride?
The canonical SMILES for 6-aminopyridine-3-carboxylic acid;2-[6-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]imidazo[1,2-a]pyridin-3-yl]-N,N-dimethyl-2-oxoacetamide;methanol;methyl 6-aminopyridine-3-carboxylate;thionyl dichloride is CN(C)C(=O)C(=O)c1cnc2ccc(C(=O)N3CCC(Cc4ccc(F)cc4)CC3)cn12.CO.COC(=O)c1ccc(N)nc1.Nc1ccc(C(=O)O)cn1.O=S(Cl)Cl.
What is the InChIKey of 6-aminopyridine-3-carboxylic acid;2-[6-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]imidazo[1,2-a]pyridin-3-yl]-N,N-dimethyl-2-oxoacetamide;methanol;methyl 6-aminopyridine-3-carboxylate;thionyl dichloride?
The InChIKey is FNLZPYMPFOCPIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN4O3.C7H8N2O2.C6H6N2O2.CH4O.Cl2OS/c1-27(2)24(32)22(30)20-14-26-21-8-5-18(15-29(20)21)23(31)28-11-9-17(10-12-28)13-16-3-6-19(25)7-4-16;1-11-7(10)5-2-3-6(8)9-4-5;7-5-2-1-4(3-8-5)6(9)10;1-2;1-4(2)3/h3-8,14-15,17H,9-13H2,1-2H3;2-4H,1H3,(H2,8,9);1-3H,(H2,7,8)(H,9,10);2H,1H3;.
What are the key properties of 6-aminopyridine-3-carboxylic acid;2-[6-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]imidazo[1,2-a]pyridin-3-yl]-N,N-dimethyl-2-oxoacetamide;methanol;methyl 6-aminopyridine-3-carboxylate;thionyl dichloride?
6-aminopyridine-3-carboxylic acid;2-[6-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]imidazo[1,2-a]pyridin-3-yl]-N,N-dimethyl-2-oxoacetamide;methanol;methyl 6-aminopyridine-3-carboxylate;thionyl dichloride has a molecular weight of 877.78 g/mol, XLogP of 4.30, 7 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 6-aminopyridine-3-carboxylic acid;2-[6-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]imidazo[1,2-a]pyridin-3-yl]-N,N-dimethyl-2-oxoacetamide;methanol;methyl 6-aminopyridine-3-carboxylate;thionyl dichloride is sourced from PubChem (CID 158085604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).