N-[4-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide;N-[4-[1-(2,3-difluorobenzoyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide

C49H53F2N7O6S — CID 159719178

IUPACN-[4-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide;N-[4-[1-(2,3-difluorobenzoyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide
SMILESO=C(NCCCCC1CCN(C(=O)c2ccc3c(c2)OCO3)CC1)c1cc2ccncc2s1.O=C(NCCCCC1CCN(C(=O)c2cccc(F)c2F)CC1)c1ccc2nccn2c1
InChIInChI=1S/C25H27N3O4S.C24H26F2N4O2/c29-24(22-14-18-6-10-26-15-23(18)33-22)27-9-2-1-3-17-7-11-28(12-8-17)25(30)19-4-5-20-21(13-19)32-16-31-20;25-20-6-3-5-19(22(20)26)24(32)29-13-9-17(10-14-29)4-1-2-11-28-23(31)18-7-8-21-27-12-15-30(21)16-18/h4-6,10,13-15,17H,1-3,7-9,11-12,16H2,(H,27,29);3,5-8,12,15-17H,1-2,4,9-11,13-14H2,(H,28,31)
InChIKeyMZUUCLTWCBCURO-UHFFFAOYSA-N
MW906.07 g/mol
LogP8.54
Rot. Bonds14

About N-[4-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide;N-[4-[1-(2,3-difluorobenzoyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide

N-[4-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide;N-[4-[1-(2,3-difluorobenzoyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 159719178) has the molecular formula C49H53F2N7O6S and a molecular weight of 906.07 g/mol. Its IUPAC name is N-[4-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide;N-[4-[1-(2,3-difluorobenzoyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[4-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide;N-[4-[1-(2,3-difluorobenzoyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide
PubChem CID159719178
Molecular FormulaC49H53F2N7O6S
Molecular Weight906.07 g/mol
Exact Mass905.37
IUPAC NameN-[4-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide;N-[4-[1-(2,3-difluorobenzoyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide
SMILESO=C(NCCCCC1CCN(C(=O)c2ccc3c(c2)OCO3)CC1)c1cc2ccncc2s1.O=C(NCCCCC1CCN(C(=O)c2cccc(F)c2F)CC1)c1ccc2nccn2c1
InChIInChI=1S/C25H27N3O4S.C24H26F2N4O2/c29-24(22-14-18-6-10-26-15-23(18)33-22)27-9-2-1-3-17-7-11-28(12-8-17)25(30)19-4-5-20-21(13-19)32-16-31-20;25-20-6-3-5-19(22(20)26)24(32)29-13-9-17(10-14-29)4-1-2-11-28-23(31)18-7-8-21-27-12-15-30(21)16-18/h4-6,10,13-15,17H,1-3,7-9,11-12,16H2,(H,27,29);3,5-8,12,15-17H,1-2,4,9-11,13-14H2,(H,28,31)
InChIKeyMZUUCLTWCBCURO-UHFFFAOYSA-N
XLogP8.54
TPSA147.47 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds14
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500906.07
LogP ≤ 58.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze N-[4-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide;N-[4-[1-(2,3-difluorobenzoyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide with MolForge

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-2-ethyl-3-[methyl(thiophen-2-ylmethyl)amino]imidazo[1,2-a]pyridine-6-carboxamide
CID 49778730
N-(1,3-benzodioxol-5-ylmethyl)-2-[4-[5-(3,4-difluorophenyl)thiophene-2-carbonyl]piperazin-1-yl]pyridine-3-carboxamide
CID 132460288
N-[4-[1-(2,6-difluorobenzoyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[4-[1-[4-(difluoromethoxy)benzoyl]piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide
CID 160346409
N-butyl-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-3,4-difluorobenzamide;N-butyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]-3-(trifluoromethyl)benzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-N-(2-methylpropyl)-1,3-benzodioxole-5-carboxamide;N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]thiophene-3-carboxamide
CID 160917574
N-butyl-3-methyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]thiophene-2-carboxamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-3,4-difluoro-N-pentylbenzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-N-(3-methylbutyl)-1,3-benzodioxole-5-carboxamide;N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]-3-(trifluoromethyl)benzamide
CID 161138810
N-(7-methyl-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)-1,3-benzodioxole-5-carboxamide
CID 3351751
N-(2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)-1,3-benzodioxole-5-carboxamide
CID 5098694
N-(1,3-benzodioxol-5-ylmethyl)-2-ethyl-3-[methyl(1,3-thiazol-2-ylmethyl)amino]imidazo[1,2-a]pyridine-6-carboxamide
CID 132453707
8-N-(1,3-benzodioxol-5-ylmethyl)-3-N-(2-hydroxy-1-pyridin-3-ylethyl)-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide
CID 59588609
8-N-(1,3-benzodioxol-5-ylmethyl)-3-N-[(1S)-2-hydroxy-1-phenylethyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide
CID 59588656
8-N-(1,3-benzodioxol-5-ylmethyl)-3-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide
CID 59588670
N-[4-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 70983730

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide;N-[4-[1-(2,3-difluorobenzoyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide?
The IUPAC name of N-[4-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide;N-[4-[1-(2,3-difluorobenzoyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide (CID 159719178) is N-[4-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide;N-[4-[1-(2,3-difluorobenzoyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide.
What is the SMILES notation for N-[4-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide;N-[4-[1-(2,3-difluorobenzoyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide?
The canonical SMILES for N-[4-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide;N-[4-[1-(2,3-difluorobenzoyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide is O=C(NCCCCC1CCN(C(=O)c2ccc3c(c2)OCO3)CC1)c1cc2ccncc2s1.O=C(NCCCCC1CCN(C(=O)c2cccc(F)c2F)CC1)c1ccc2nccn2c1.
What is the InChIKey of N-[4-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide;N-[4-[1-(2,3-difluorobenzoyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide?
The InChIKey is MZUUCLTWCBCURO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O4S.C24H26F2N4O2/c29-24(22-14-18-6-10-26-15-23(18)33-22)27-9-2-1-3-17-7-11-28(12-8-17)25(30)19-4-5-20-21(13-19)32-16-31-20;25-20-6-3-5-19(22(20)26)24(32)29-13-9-17(10-14-29)4-1-2-11-28-23(31)18-7-8-21-27-12-15-30(21)16-18/h4-6,10,13-15,17H,1-3,7-9,11-12,16H2,(H,27,29);3,5-8,12,15-17H,1-2,4,9-11,13-14H2,(H,28,31).
What are the key properties of N-[4-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide;N-[4-[1-(2,3-difluorobenzoyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide?
N-[4-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide;N-[4-[1-(2,3-difluorobenzoyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 906.07 g/mol, XLogP of 8.54, 14 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide;N-[4-[1-(2,3-difluorobenzoyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 159719178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).