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

C73H79F5N10O6S2 — CID 90013299

IUPACN-[4-[1-(2,4-difluorobenzoyl)piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide;N-[4-[1-(3,4-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)c(F)c2)CC1)c1cc2ccncc2s1.O=C(NCCCCC1CCN(C(=O)c2ccc(F)cc2F)CC1)c1cc2ccncc2s1
InChIInChI=1S/C25H29FN4O2.2C24H25F2N3O2S/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;25-19-5-4-18(13-20(19)26)24(31)29-11-7-16(8-12-29)3-1-2-9-28-23(30)21-14-17-6-10-27-15-22(17)32-21;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);2*4-6,10,13-16H,1-3,7-9,11-12H2,(H,28,30)
InChIKeyHZHBTGLUIRVZKG-UHFFFAOYSA-N
MW1351.62 g/mol
LogP14.29
Rot. Bonds21

About N-[4-[1-(2,4-difluorobenzoyl)piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide;N-[4-[1-(3,4-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-(3,4-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 90013299) has the molecular formula C73H79F5N10O6S2 and a molecular weight of 1351.62 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-(3,4-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-(3,4-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 CID90013299
Molecular FormulaC73H79F5N10O6S2
Molecular Weight1351.62 g/mol
Exact Mass1350.55
IUPAC NameN-[4-[1-(2,4-difluorobenzoyl)piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide;N-[4-[1-(3,4-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)c(F)c2)CC1)c1cc2ccncc2s1.O=C(NCCCCC1CCN(C(=O)c2ccc(F)cc2F)CC1)c1cc2ccncc2s1
InChIInChI=1S/C25H29FN4O2.2C24H25F2N3O2S/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;25-19-5-4-18(13-20(19)26)24(31)29-11-7-16(8-12-29)3-1-2-9-28-23(30)21-14-17-6-10-27-15-22(17)32-21;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);2*4-6,10,13-16H,1-3,7-9,11-12H2,(H,28,30)
InChIKeyHZHBTGLUIRVZKG-UHFFFAOYSA-N
XLogP14.29
TPSA191.31 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds21
Heavy Atoms96
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001351.62
LogP ≤ 514.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

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-(3,4-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

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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-(3,4-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-(3,4-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 90013299) is N-[4-[1-(2,4-difluorobenzoyl)piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide;N-[4-[1-(3,4-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-(3,4-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-(3,4-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)c(F)c2)CC1)c1cc2ccncc2s1.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-(3,4-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 HZHBTGLUIRVZKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FN4O2.2C24H25F2N3O2S/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;25-19-5-4-18(13-20(19)26)24(31)29-11-7-16(8-12-29)3-1-2-9-28-23(30)21-14-17-6-10-27-15-22(17)32-21;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);2*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-(3,4-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-(3,4-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 1351.62 g/mol, XLogP of 14.29, 21 rotatable bonds, 3 hydrogen bond donors, and 12 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-(3,4-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 90013299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).