N-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]-3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide

C26H30N6O2S — CID 134009662

IUPACN-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]-3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide
SMILESCSc1nnc(CCCNC(=O)c2cccc(OCc3cn4ccccc4n3)c2)n1C1CCCC1
InChIInChI=1S/C26H30N6O2S/c1-35-26-30-29-24(32(26)21-9-2-3-10-21)13-7-14-27-25(33)19-8-6-11-22(16-19)34-18-20-17-31-15-5-4-12-23(31)28-20/h4-6,8,11-12,15-17,21H,2-3,7,9-10,13-14,18H2,1H3,(H,27,33)
InChIKeyBHSAKSUDIFRGIP-UHFFFAOYSA-N
MW490.63 g/mol
LogP4.70
Rot. Bonds10

About N-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]-3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide

N-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]-3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide (PubChem CID 134009662) has the molecular formula C26H30N6O2S and a molecular weight of 490.63 g/mol. Its IUPAC name is N-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]-3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]-3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide
PubChem CID134009662
Molecular FormulaC26H30N6O2S
Molecular Weight490.63 g/mol
Exact Mass490.22
IUPAC NameN-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]-3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide
SMILESCSc1nnc(CCCNC(=O)c2cccc(OCc3cn4ccccc4n3)c2)n1C1CCCC1
InChIInChI=1S/C26H30N6O2S/c1-35-26-30-29-24(32(26)21-9-2-3-10-21)13-7-14-27-25(33)19-8-6-11-22(16-19)34-18-20-17-31-15-5-4-12-23(31)28-20/h4-6,8,11-12,15-17,21H,2-3,7,9-10,13-14,18H2,1H3,(H,27,33)
InChIKeyBHSAKSUDIFRGIP-UHFFFAOYSA-N
XLogP4.70
TPSA86.34 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.63
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-pentylbenzamide
CID 134009641
N-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]benzamide
CID 51213819
3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-[3-(methylamino)propyl]benzamide
CID 119431980
N-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]-4-methoxybenzamide
CID 9050478
N-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]pyridine-3-carboxamide
CID 51213813
N-[2-(ethylamino)ethyl]-3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide;dihydrochloride
CID 119507186
3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 30582719
N-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]-3-(cyclopropylmethylsulfamoyl)benzamide
CID 55911459
3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-(3-piperazin-1-ylpropyl)benzamide;dihydrochloride
CID 119392764
3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-piperidin-4-ylbenzamide
CID 119388257
3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-(piperidin-3-ylmethyl)benzamide
CID 119462373
N-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]-3-piperidin-1-ylsulfonylbenzamide
CID 55396175

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]-3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide?
The IUPAC name of N-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]-3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide (CID 134009662) is N-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]-3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide.
What is the SMILES notation for N-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]-3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide?
The canonical SMILES for N-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]-3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide is CSc1nnc(CCCNC(=O)c2cccc(OCc3cn4ccccc4n3)c2)n1C1CCCC1.
What is the InChIKey of N-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]-3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide?
The InChIKey is BHSAKSUDIFRGIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N6O2S/c1-35-26-30-29-24(32(26)21-9-2-3-10-21)13-7-14-27-25(33)19-8-6-11-22(16-19)34-18-20-17-31-15-5-4-12-23(31)28-20/h4-6,8,11-12,15-17,21H,2-3,7,9-10,13-14,18H2,1H3,(H,27,33).
What are the key properties of N-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]-3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide?
N-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]-3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide has a molecular weight of 490.63 g/mol, XLogP of 4.70, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]-3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide is sourced from PubChem (CID 134009662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).