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

C48H55N9O6S — CID 159715173

IUPACN-[4-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[4-[1-(5-methylpyrazine-2-carbonyl)piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide
SMILESCc1cnc(C(=O)N2CCC(CCCCNC(=O)c3cc4ccncc4s3)CC2)cn1.O=C(NCCCCC1CCN(C(=O)c2ccc3c(c2)OCO3)CC1)c1ccc2nccn2c1
InChIInChI=1S/C25H28N4O4.C23H27N5O2S/c30-24(20-5-7-23-26-11-14-29(23)16-20)27-10-2-1-3-18-8-12-28(13-9-18)25(31)19-4-6-21-22(15-19)33-17-32-21;1-16-13-27-19(14-26-16)23(30)28-10-6-17(7-11-28)4-2-3-8-25-22(29)20-12-18-5-9-24-15-21(18)31-20/h4-7,11,14-16,18H,1-3,8-10,12-13,17H2,(H,27,30);5,9,12-15,17H,2-4,6-8,10-11H2,1H3,(H,25,29)
InChIKeyMZILFXUOQUELHJ-UHFFFAOYSA-N
MW886.09 g/mol
LogP7.36
Rot. Bonds14

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

N-[4-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[4-[1-(5-methylpyrazine-2-carbonyl)piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide (PubChem CID 159715173) has the molecular formula C48H55N9O6S and a molecular weight of 886.09 g/mol. Its IUPAC name is N-[4-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[4-[1-(5-methylpyrazine-2-carbonyl)piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[4-[1-(5-methylpyrazine-2-carbonyl)piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide
PubChem CID159715173
Molecular FormulaC48H55N9O6S
Molecular Weight886.09 g/mol
Exact Mass885.40
IUPAC NameN-[4-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[4-[1-(5-methylpyrazine-2-carbonyl)piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide
SMILESCc1cnc(C(=O)N2CCC(CCCCNC(=O)c3cc4ccncc4s3)CC2)cn1.O=C(NCCCCC1CCN(C(=O)c2ccc3c(c2)OCO3)CC1)c1ccc2nccn2c1
InChIInChI=1S/C25H28N4O4.C23H27N5O2S/c30-24(20-5-7-23-26-11-14-29(23)16-20)27-10-2-1-3-18-8-12-28(13-9-18)25(31)19-4-6-21-22(15-19)33-17-32-21;1-16-13-27-19(14-26-16)23(30)28-10-6-17(7-11-28)4-2-3-8-25-22(29)20-12-18-5-9-24-15-21(18)31-20/h4-7,11,14-16,18H,1-3,8-10,12-13,17H2,(H,27,30);5,9,12-15,17H,2-4,6-8,10-11H2,1H3,(H,25,29)
InChIKeyMZILFXUOQUELHJ-UHFFFAOYSA-N
XLogP7.36
TPSA173.25 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds14
Heavy Atoms64
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500886.09
LogP ≤ 57.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

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]imidazo[1,2-a]pyridine-6-carboxamide;N-[4-[1-(5-methylpyrazine-2-carbonyl)piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-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-{[7-(imidazo[1,2-a]pyridin-2-ylcarbonyl)-3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl]methyl}-1,3-benzodioxole-5-carboxamide
CID 42322563
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-{[7-(imidazo[2,1-b][1,3]thiazol-6-ylcarbonyl)-3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl]methyl}-1,3-benzodioxole-5-carboxamide
CID 42165056
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
3-[(3,4-dimethoxyphenyl)methyl-ethylamino]-2-ethyl-N-(thiophen-2-ylmethyl)imidazo[1,2-a]pyridine-6-carboxamide
CID 132455539
2-[4-[2-(1,3-benzodioxol-5-yl)acetyl]-1-(2-imidazol-1-yl-6-propan-2-ylpyrimidin-4-yl)piperazin-2-yl]-N-(1-thiophen-2-ylethyl)acetamide
CID 22488509
8-N-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-3-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide
CID 25098342

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[4-[1-(5-methylpyrazine-2-carbonyl)piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide?
The IUPAC name of N-[4-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[4-[1-(5-methylpyrazine-2-carbonyl)piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide (CID 159715173) is N-[4-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[4-[1-(5-methylpyrazine-2-carbonyl)piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for N-[4-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[4-[1-(5-methylpyrazine-2-carbonyl)piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for N-[4-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[4-[1-(5-methylpyrazine-2-carbonyl)piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide is Cc1cnc(C(=O)N2CCC(CCCCNC(=O)c3cc4ccncc4s3)CC2)cn1.O=C(NCCCCC1CCN(C(=O)c2ccc3c(c2)OCO3)CC1)c1ccc2nccn2c1.
What is the InChIKey of N-[4-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[4-[1-(5-methylpyrazine-2-carbonyl)piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide?
The InChIKey is MZILFXUOQUELHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O4.C23H27N5O2S/c30-24(20-5-7-23-26-11-14-29(23)16-20)27-10-2-1-3-18-8-12-28(13-9-18)25(31)19-4-6-21-22(15-19)33-17-32-21;1-16-13-27-19(14-26-16)23(30)28-10-6-17(7-11-28)4-2-3-8-25-22(29)20-12-18-5-9-24-15-21(18)31-20/h4-7,11,14-16,18H,1-3,8-10,12-13,17H2,(H,27,30);5,9,12-15,17H,2-4,6-8,10-11H2,1H3,(H,25,29).
What are the key properties of N-[4-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[4-[1-(5-methylpyrazine-2-carbonyl)piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide?
N-[4-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[4-[1-(5-methylpyrazine-2-carbonyl)piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide has a molecular weight of 886.09 g/mol, XLogP of 7.36, 14 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[4-[1-(5-methylpyrazine-2-carbonyl)piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 159715173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).