7-(aminomethyl)-6-(2-chlorophenyl)-3-(1-oxo-1,4-thiazinan-4-yl)imidazo[1,2-a]pyridin-8-amine;ethane;propane

C23H34ClN5OS — CID 143550725

IUPAC7-(aminomethyl)-6-(2-chlorophenyl)-3-(1-oxo-1,4-thiazinan-4-yl)imidazo[1,2-a]pyridin-8-amine;ethane;propane
SMILESCC.CCC.NCc1c(-c2ccccc2Cl)cn2c(N3CCS(=O)CC3)cnc2c1N
InChIInChI=1S/C18H20ClN5OS.C3H8.C2H6/c19-15-4-2-1-3-12(15)14-11-24-16(23-5-7-26(25)8-6-23)10-22-18(24)17(21)13(14)9-20;1-3-2;1-2/h1-4,10-11H,5-9,20-21H2;3H2,1-2H3;1-2H3
InChIKeyCUXBYKCZZWKFSD-UHFFFAOYSA-N
MW464.08 g/mol
LogP4.71
Rot. Bonds3

About 7-(aminomethyl)-6-(2-chlorophenyl)-3-(1-oxo-1,4-thiazinan-4-yl)imidazo[1,2-a]pyridin-8-amine;ethane;propane

7-(aminomethyl)-6-(2-chlorophenyl)-3-(1-oxo-1,4-thiazinan-4-yl)imidazo[1,2-a]pyridin-8-amine;ethane;propane (PubChem CID 143550725) has the molecular formula C23H34ClN5OS and a molecular weight of 464.08 g/mol. Its IUPAC name is 7-(aminomethyl)-6-(2-chlorophenyl)-3-(1-oxo-1,4-thiazinan-4-yl)imidazo[1,2-a]pyridin-8-amine;ethane;propane.

Molecular Properties

Compound Name7-(aminomethyl)-6-(2-chlorophenyl)-3-(1-oxo-1,4-thiazinan-4-yl)imidazo[1,2-a]pyridin-8-amine;ethane;propane
PubChem CID143550725
Molecular FormulaC23H34ClN5OS
Molecular Weight464.08 g/mol
Exact Mass463.22
IUPAC Name7-(aminomethyl)-6-(2-chlorophenyl)-3-(1-oxo-1,4-thiazinan-4-yl)imidazo[1,2-a]pyridin-8-amine;ethane;propane
SMILESCC.CCC.NCc1c(-c2ccccc2Cl)cn2c(N3CCS(=O)CC3)cnc2c1N
InChIInChI=1S/C18H20ClN5OS.C3H8.C2H6/c19-15-4-2-1-3-12(15)14-11-24-16(23-5-7-26(25)8-6-23)10-22-18(24)17(21)13(14)9-20;1-3-2;1-2/h1-4,10-11H,5-9,20-21H2;3H2,1-2H3;1-2H3
InChIKeyCUXBYKCZZWKFSD-UHFFFAOYSA-N
XLogP4.71
TPSA89.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.08
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2-Chlorobenzyl)-{4-[7-dimethylaminomethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl}amine
CID 24744107
4-[2-(4-Chlorophenyl)-7-dimethylaminomethylimidazo[1,2-a]pyridin-3-yl]pyrimidin-2-ylamine
CID 24745380
3-{2-[(4-Chlorobenzyl)thio]pyrimidin-4-yl}-2-methylimidazo[1,2-a]pyridine
CID 2745488
2-(2-chlorophenyl)-N-cyclohexyl-6-methylimidazo[1,2-a]pyridin-3-amine
CID 809041
2-(2-chlorophenyl)-N-cyclohexyl-imidazo[1,2-a]pyridin-3-amine
CID 25265801
n-(5-(2-Aminoimidazo[1,2-a]pyridin-6-yl)-2-chloropyridin-3-yl)-4-fluorobenzenesulfonamide
CID 44125376
ethanesulfonic acid [5-(6-chloro-1-methyl-1H-pyrrolo[2,3-b]pyridin-2-yl)-pyridin-3-ylmethyl]-amide
CID 49820901
3-[(2-Chlorophenyl)methyl]-2-pentan-3-yl-7-piperazin-1-ylimidazo[4,5-b]pyridine
CID 126720395
3-[(2-Chlorophenyl)methyl]-2-ethyl-7-piperazin-1-ylimidazo[4,5-b]pyridine
CID 126720448
3-[(2-Chlorophenyl)methyl]-2-methyl-7-piperazin-1-ylimidazo[4,5-b]pyridine
CID 126720449
6-Chloro-2-[(phenylmethylthio)methyl]imidazo[1,2-a]pyridine
CID 4564792
2-(4-Chlorophenyl)-6-methyl-3-(pyridin-2-ylmethyl)imidazo[1,2-a]pyridine
CID 53299376

Frequently Asked Questions

What is the IUPAC name of 7-(aminomethyl)-6-(2-chlorophenyl)-3-(1-oxo-1,4-thiazinan-4-yl)imidazo[1,2-a]pyridin-8-amine;ethane;propane?
The IUPAC name of 7-(aminomethyl)-6-(2-chlorophenyl)-3-(1-oxo-1,4-thiazinan-4-yl)imidazo[1,2-a]pyridin-8-amine;ethane;propane (CID 143550725) is 7-(aminomethyl)-6-(2-chlorophenyl)-3-(1-oxo-1,4-thiazinan-4-yl)imidazo[1,2-a]pyridin-8-amine;ethane;propane.
What is the SMILES notation for 7-(aminomethyl)-6-(2-chlorophenyl)-3-(1-oxo-1,4-thiazinan-4-yl)imidazo[1,2-a]pyridin-8-amine;ethane;propane?
The canonical SMILES for 7-(aminomethyl)-6-(2-chlorophenyl)-3-(1-oxo-1,4-thiazinan-4-yl)imidazo[1,2-a]pyridin-8-amine;ethane;propane is CC.CCC.NCc1c(-c2ccccc2Cl)cn2c(N3CCS(=O)CC3)cnc2c1N.
What is the InChIKey of 7-(aminomethyl)-6-(2-chlorophenyl)-3-(1-oxo-1,4-thiazinan-4-yl)imidazo[1,2-a]pyridin-8-amine;ethane;propane?
The InChIKey is CUXBYKCZZWKFSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN5OS.C3H8.C2H6/c19-15-4-2-1-3-12(15)14-11-24-16(23-5-7-26(25)8-6-23)10-22-18(24)17(21)13(14)9-20;1-3-2;1-2/h1-4,10-11H,5-9,20-21H2;3H2,1-2H3;1-2H3.
What are the key properties of 7-(aminomethyl)-6-(2-chlorophenyl)-3-(1-oxo-1,4-thiazinan-4-yl)imidazo[1,2-a]pyridin-8-amine;ethane;propane?
7-(aminomethyl)-6-(2-chlorophenyl)-3-(1-oxo-1,4-thiazinan-4-yl)imidazo[1,2-a]pyridin-8-amine;ethane;propane has a molecular weight of 464.08 g/mol, XLogP of 4.71, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(aminomethyl)-6-(2-chlorophenyl)-3-(1-oxo-1,4-thiazinan-4-yl)imidazo[1,2-a]pyridin-8-amine;ethane;propane is sourced from PubChem (CID 143550725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).