2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]benzamide

C26H27N5OS — CID 55965135

IUPAC2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]benzamide
SMILESO=C(NCc1ccc(N2CCCCC2)nc1)c1ccccc1SCc1cn2ccccc2n1
InChIInChI=1S/C26H27N5OS/c32-26(28-17-20-11-12-24(27-16-20)30-13-5-1-6-14-30)22-8-2-3-9-23(22)33-19-21-18-31-15-7-4-10-25(31)29-21/h2-4,7-12,15-16,18H,1,5-6,13-14,17,19H2,(H,28,32)
InChIKeyHKWORHZMVAEWLC-UHFFFAOYSA-N
MW457.60 g/mol
LogP4.94
Rot. Bonds7

About 2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]benzamide

2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]benzamide (PubChem CID 55965135) has the molecular formula C26H27N5OS and a molecular weight of 457.60 g/mol. Its IUPAC name is 2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]benzamide.

Molecular Properties

Compound Name2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]benzamide
PubChem CID55965135
Molecular FormulaC26H27N5OS
Molecular Weight457.60 g/mol
Exact Mass457.19
IUPAC Name2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]benzamide
SMILESO=C(NCc1ccc(N2CCCCC2)nc1)c1ccccc1SCc1cn2ccccc2n1
InChIInChI=1S/C26H27N5OS/c32-26(28-17-20-11-12-24(27-16-20)30-13-5-1-6-14-30)22-8-2-3-9-23(22)33-19-21-18-31-15-7-4-10-25(31)29-21/h2-4,7-12,15-16,18H,1,5-6,13-14,17,19H2,(H,28,32)
InChIKeyHKWORHZMVAEWLC-UHFFFAOYSA-N
XLogP4.94
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.60
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 35707164
N-(3-hydroxypropyl)-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide
CID 78854545
2-(oxolan-2-ylmethylsulfanyl)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide
CID 55585692
N-(2-amino-2-methylpropyl)-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide;dihydrochloride
CID 119629702
N-[2-(ethylamino)-2-oxoethyl]-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide
CID 78886751
[1-[2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzoyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 55616185
2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]benzamide
CID 55843891
2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-pyridin-2-ylbenzamide
CID 167974368
2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-[2-(2-methylphenyl)ethyl]benzamide
CID 31405985
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-2-(trifluoromethyl)benzamide
CID 53149086
N-(2-amino-2-ethylbutyl)-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide;dihydrochloride
CID 119643073
N-(1-hydroxypropan-2-yl)-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide
CID 78857402

Frequently Asked Questions

What is the IUPAC name of 2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]benzamide?
The IUPAC name of 2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]benzamide (CID 55965135) is 2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]benzamide.
What is the SMILES notation for 2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]benzamide?
The canonical SMILES for 2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]benzamide is O=C(NCc1ccc(N2CCCCC2)nc1)c1ccccc1SCc1cn2ccccc2n1.
What is the InChIKey of 2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]benzamide?
The InChIKey is HKWORHZMVAEWLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5OS/c32-26(28-17-20-11-12-24(27-16-20)30-13-5-1-6-14-30)22-8-2-3-9-23(22)33-19-21-18-31-15-7-4-10-25(31)29-21/h2-4,7-12,15-16,18H,1,5-6,13-14,17,19H2,(H,28,32).
What are the key properties of 2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]benzamide?
2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]benzamide has a molecular weight of 457.60 g/mol, XLogP of 4.94, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]benzamide is sourced from PubChem (CID 55965135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).