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

C49H54F3N7O4S — CID 159056944

IUPACN-[4-[1-(2,4-difluorobenzoyl)piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide;N-[4-[1-(2-fluoro-3-methylbenzoyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide
SMILESCc1cccc(C(=O)N2CCC(CCCCNC(=O)c3ccc4nccn4c3)CC2)c1F.O=C(NCCCCC1CCN(C(=O)c2ccc(F)cc2F)CC1)c1cc2ccncc2s1
InChIInChI=1S/C25H29FN4O2.C24H25F2N3O2S/c1-18-5-4-7-21(23(18)26)25(32)29-14-10-19(11-15-29)6-2-3-12-28-24(31)20-8-9-22-27-13-16-30(22)17-20;25-18-4-5-19(20(26)14-18)24(31)29-11-7-16(8-12-29)3-1-2-9-28-23(30)21-13-17-6-10-27-15-22(17)32-21/h4-5,7-9,13,16-17,19H,2-3,6,10-12,14-15H2,1H3,(H,28,31);4-6,10,13-16H,1-3,7-9,11-12H2,(H,28,30)
InChIKeyJXZALALRGPFJRX-UHFFFAOYSA-N
MW894.08 g/mol
LogP9.26
Rot. Bonds14

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

N-[4-[1-(2,4-difluorobenzoyl)piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide;N-[4-[1-(2-fluoro-3-methylbenzoyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 159056944) has the molecular formula C49H54F3N7O4S and a molecular weight of 894.08 g/mol. Its IUPAC name is N-[4-[1-(2,4-difluorobenzoyl)piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide;N-[4-[1-(2-fluoro-3-methylbenzoyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[4-[1-(2,4-difluorobenzoyl)piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide;N-[4-[1-(2-fluoro-3-methylbenzoyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide
PubChem CID159056944
Molecular FormulaC49H54F3N7O4S
Molecular Weight894.08 g/mol
Exact Mass893.39
IUPAC NameN-[4-[1-(2,4-difluorobenzoyl)piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide;N-[4-[1-(2-fluoro-3-methylbenzoyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide
SMILESCc1cccc(C(=O)N2CCC(CCCCNC(=O)c3ccc4nccn4c3)CC2)c1F.O=C(NCCCCC1CCN(C(=O)c2ccc(F)cc2F)CC1)c1cc2ccncc2s1
InChIInChI=1S/C25H29FN4O2.C24H25F2N3O2S/c1-18-5-4-7-21(23(18)26)25(32)29-14-10-19(11-15-29)6-2-3-12-28-24(31)20-8-9-22-27-13-16-30(22)17-20;25-18-4-5-19(20(26)14-18)24(31)29-11-7-16(8-12-29)3-1-2-9-28-23(30)21-13-17-6-10-27-15-22(17)32-21/h4-5,7-9,13,16-17,19H,2-3,6,10-12,14-15H2,1H3,(H,28,31);4-6,10,13-16H,1-3,7-9,11-12H2,(H,28,30)
InChIKeyJXZALALRGPFJRX-UHFFFAOYSA-N
XLogP9.26
TPSA129.01 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500894.08
LogP ≤ 59.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

US9776991, Example 15
CID 118112602
N-(1-benzylpiperidin-4-yl)-2-ethyl-3-[methyl(thiophen-2-ylmethyl)amino]imidazo[1,2-a]pyridine-6-carboxamide
CID 46948410
3-[5-({[1-(3,4-Difluoro-benzyl)-2-oxo-1,2-dihydro-pyridine-3-carbonyl]-amino}-methyl)-thiophen-2-yl]-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid ethylamide
CID 59362332
3-[5-[[[1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]methyl]thiophen-2-yl]-N-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 59362588
US10030016, Example 49
CID 68160325
US10030016, Example 2.18
CID 68160413
US10030016, Example 2.24
CID 68160588
US10030016, Example 2.25
CID 68160711
US10030016, Example 2.19
CID 68160716
US10030016, Example 354
CID 68160765
US10030016, Example 1.17
CID 68160777
US10030016, Example 2.27
CID 68161104

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(2,4-difluorobenzoyl)piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide;N-[4-[1-(2-fluoro-3-methylbenzoyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide?
The IUPAC name of N-[4-[1-(2,4-difluorobenzoyl)piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide;N-[4-[1-(2-fluoro-3-methylbenzoyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide (CID 159056944) is N-[4-[1-(2,4-difluorobenzoyl)piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide;N-[4-[1-(2-fluoro-3-methylbenzoyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide.
What is the SMILES notation for N-[4-[1-(2,4-difluorobenzoyl)piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide;N-[4-[1-(2-fluoro-3-methylbenzoyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide?
The canonical SMILES for N-[4-[1-(2,4-difluorobenzoyl)piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide;N-[4-[1-(2-fluoro-3-methylbenzoyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide is Cc1cccc(C(=O)N2CCC(CCCCNC(=O)c3ccc4nccn4c3)CC2)c1F.O=C(NCCCCC1CCN(C(=O)c2ccc(F)cc2F)CC1)c1cc2ccncc2s1.
What is the InChIKey of N-[4-[1-(2,4-difluorobenzoyl)piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide;N-[4-[1-(2-fluoro-3-methylbenzoyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide?
The InChIKey is JXZALALRGPFJRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FN4O2.C24H25F2N3O2S/c1-18-5-4-7-21(23(18)26)25(32)29-14-10-19(11-15-29)6-2-3-12-28-24(31)20-8-9-22-27-13-16-30(22)17-20;25-18-4-5-19(20(26)14-18)24(31)29-11-7-16(8-12-29)3-1-2-9-28-23(30)21-13-17-6-10-27-15-22(17)32-21/h4-5,7-9,13,16-17,19H,2-3,6,10-12,14-15H2,1H3,(H,28,31);4-6,10,13-16H,1-3,7-9,11-12H2,(H,28,30).
What are the key properties of N-[4-[1-(2,4-difluorobenzoyl)piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide;N-[4-[1-(2-fluoro-3-methylbenzoyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide?
N-[4-[1-(2,4-difluorobenzoyl)piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide;N-[4-[1-(2-fluoro-3-methylbenzoyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 894.08 g/mol, XLogP of 9.26, 14 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(2,4-difluorobenzoyl)piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide;N-[4-[1-(2-fluoro-3-methylbenzoyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 159056944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).