N-(2-amino-1-cyclopropylethyl)-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide;dihydrochloride

C20H24Cl2N4OS — CID 119616671

IUPACN-(2-amino-1-cyclopropylethyl)-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide;dihydrochloride
SMILESCl.Cl.NCC(NC(=O)c1ccc(SCc2cn3ccccc3n2)cc1)C1CC1
InChIInChI=1S/C20H22N4OS.2ClH/c21-11-18(14-4-5-14)23-20(25)15-6-8-17(9-7-15)26-13-16-12-24-10-2-1-3-19(24)22-16;;/h1-3,6-10,12,14,18H,4-5,11,13,21H2,(H,23,25);2*1H
InChIKeyVTRRNUPCFLMEOB-UHFFFAOYSA-N
MW439.41 g/mol
LogP3.94
Rot. Bonds7

About N-(2-amino-1-cyclopropylethyl)-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide;dihydrochloride

N-(2-amino-1-cyclopropylethyl)-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide;dihydrochloride (PubChem CID 119616671) has the molecular formula C20H24Cl2N4OS and a molecular weight of 439.41 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide;dihydrochloride.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide;dihydrochloride
PubChem CID119616671
Molecular FormulaC20H24Cl2N4OS
Molecular Weight439.41 g/mol
Exact Mass438.10
IUPAC NameN-(2-amino-1-cyclopropylethyl)-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide;dihydrochloride
SMILESCl.Cl.NCC(NC(=O)c1ccc(SCc2cn3ccccc3n2)cc1)C1CC1
InChIInChI=1S/C20H22N4OS.2ClH/c21-11-18(14-4-5-14)23-20(25)15-6-8-17(9-7-15)26-13-16-12-24-10-2-1-3-19(24)22-16;;/h1-3,6-10,12,14,18H,4-5,11,13,21H2,(H,23,25);2*1H
InChIKeyVTRRNUPCFLMEOB-UHFFFAOYSA-N
XLogP3.94
TPSA72.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.41
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-methylbenzamide
CID 51335280
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide
CID 46559411
N-(4-acetamidophenyl)-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide
CID 31702330
N-[cyano-(2-fluorophenyl)methyl]-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide
CID 56572139
4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-(2-methyl-1-thiophen-2-ylpropyl)benzamide
CID 46514505
N-(2-amino-2-ethylbutyl)-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide;dihydrochloride
CID 119642980
4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-prop-2-enylbenzamide
CID 31765000
4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-(3-propan-2-yloxypropyl)benzamide
CID 35823533
4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-[4-(3-methylbutanoylamino)phenyl]benzamide
CID 33037219
4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-(2-oxoazepan-3-yl)benzamide
CID 71892722
N-[(2-fluorophenyl)methyl]-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide
CID 32742009
2-chloro-N-[2-[[4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzoyl]amino]ethyl]benzamide
CID 35696945

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide;dihydrochloride?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide;dihydrochloride (CID 119616671) is N-(2-amino-1-cyclopropylethyl)-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide;dihydrochloride.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide;dihydrochloride?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide;dihydrochloride is Cl.Cl.NCC(NC(=O)c1ccc(SCc2cn3ccccc3n2)cc1)C1CC1.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide;dihydrochloride?
The InChIKey is VTRRNUPCFLMEOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4OS.2ClH/c21-11-18(14-4-5-14)23-20(25)15-6-8-17(9-7-15)26-13-16-12-24-10-2-1-3-19(24)22-16;;/h1-3,6-10,12,14,18H,4-5,11,13,21H2,(H,23,25);2*1H.
What are the key properties of N-(2-amino-1-cyclopropylethyl)-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide;dihydrochloride?
N-(2-amino-1-cyclopropylethyl)-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide;dihydrochloride has a molecular weight of 439.41 g/mol, XLogP of 3.94, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopropylethyl)-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide;dihydrochloride is sourced from PubChem (CID 119616671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).