8-(2,4-dichlorophenyl)-2-methylsulfanyl-N-propyl-N-prop-2-ynylimidazo[1,2-a]pyridin-3-amine

C20H19Cl2N3S — CID 22024345

IUPAC8-(2,4-dichlorophenyl)-2-methylsulfanyl-N-propyl-N-prop-2-ynylimidazo[1,2-a]pyridin-3-amine
SMILESC#CCN(CCC)c1c(SC)nc2c(-c3ccc(Cl)cc3Cl)cccn12
InChIInChI=1S/C20H19Cl2N3S/c1-4-10-24(11-5-2)20-19(26-3)23-18-16(7-6-12-25(18)20)15-9-8-14(21)13-17(15)22/h1,6-9,12-13H,5,10-11H2,2-3H3
InChIKeyWOTUZDAURUCNHY-UHFFFAOYSA-N
MW404.37 g/mol
LogP5.88
Rot. Bonds6

About 8-(2,4-dichlorophenyl)-2-methylsulfanyl-N-propyl-N-prop-2-ynylimidazo[1,2-a]pyridin-3-amine

8-(2,4-dichlorophenyl)-2-methylsulfanyl-N-propyl-N-prop-2-ynylimidazo[1,2-a]pyridin-3-amine (PubChem CID 22024345) has the molecular formula C20H19Cl2N3S and a molecular weight of 404.37 g/mol. Its IUPAC name is 8-(2,4-dichlorophenyl)-2-methylsulfanyl-N-propyl-N-prop-2-ynylimidazo[1,2-a]pyridin-3-amine.

Molecular Properties

Compound Name8-(2,4-dichlorophenyl)-2-methylsulfanyl-N-propyl-N-prop-2-ynylimidazo[1,2-a]pyridin-3-amine
PubChem CID22024345
Molecular FormulaC20H19Cl2N3S
Molecular Weight404.37 g/mol
Exact Mass403.07
IUPAC Name8-(2,4-dichlorophenyl)-2-methylsulfanyl-N-propyl-N-prop-2-ynylimidazo[1,2-a]pyridin-3-amine
SMILESC#CCN(CCC)c1c(SC)nc2c(-c3ccc(Cl)cc3Cl)cccn12
InChIInChI=1S/C20H19Cl2N3S/c1-4-10-24(11-5-2)20-19(26-3)23-18-16(7-6-12-25(18)20)15-9-8-14(21)13-17(15)22/h1,6-9,12-13H,5,10-11H2,2-3H3
InChIKeyWOTUZDAURUCNHY-UHFFFAOYSA-N
XLogP5.88
TPSA20.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.37
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

8-(4-ethyl-2,6-dimethoxyphenyl)-2-methylsulfanyl-N,N-dipropylimidazo[1,2-a]pyridin-3-amine
CID 22024365
8-[6-(dimethylamino)-2,4-dimethyl-3-pyridinyl]-2-methylsulfanyl-N,N-dipropylimidazo[1,2-a]pyridin-3-amine
CID 22024591
7-(2,4-dichlorophenyl)-3-ethynyl-2-methylindazole
CID 59702308
8-(2,6-dimethoxy-4-methylphenyl)-2-methylsulfanyl-N-propyl-N-thiophen-3-ylimidazo[1,2-a]pyridin-3-amine
CID 22024602
8-(2,4-dichlorophenyl)-3-(1-ethoxybutyl)-2-methylsulfanylimidazo[1,2-a]pyrazine
CID 22024491
N-butan-2-yl-8-(2,4-dichlorophenyl)-2-ethyl-N-propylimidazo[1,2-a]pyrazin-3-amine
CID 22024605
1-[2-(2,4-dichlorophenyl)-8-methylimidazo[1,2-a]pyridin-3-yl]-N,N-dimethylmethanamine
CID 39146113
ethyl 2-[8-(2-chloro-4-methoxyphenyl)-3-methylsulfanylimidazo[1,2-a]pyridin-2-yl]acetate
CID 137368926
7-(2,4-dichlorophenyl)-5-methyl-N,N-dipropylpyrrolo[3,2-d]pyrimidin-4-amine
CID 18380188
2,4-dichloro-1-(2-methylsulfanylphenyl)benzene
CID 118990225
8-(2,4-dichlorophenyl)-2,7-dimethyl-N,N-dipropylpyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 10715520
7-(2,4-dichlorophenyl)-2-methylindazole-3-carbonitrile
CID 59702374

Frequently Asked Questions

What is the IUPAC name of 8-(2,4-dichlorophenyl)-2-methylsulfanyl-N-propyl-N-prop-2-ynylimidazo[1,2-a]pyridin-3-amine?
The IUPAC name of 8-(2,4-dichlorophenyl)-2-methylsulfanyl-N-propyl-N-prop-2-ynylimidazo[1,2-a]pyridin-3-amine (CID 22024345) is 8-(2,4-dichlorophenyl)-2-methylsulfanyl-N-propyl-N-prop-2-ynylimidazo[1,2-a]pyridin-3-amine.
What is the SMILES notation for 8-(2,4-dichlorophenyl)-2-methylsulfanyl-N-propyl-N-prop-2-ynylimidazo[1,2-a]pyridin-3-amine?
The canonical SMILES for 8-(2,4-dichlorophenyl)-2-methylsulfanyl-N-propyl-N-prop-2-ynylimidazo[1,2-a]pyridin-3-amine is C#CCN(CCC)c1c(SC)nc2c(-c3ccc(Cl)cc3Cl)cccn12.
What is the InChIKey of 8-(2,4-dichlorophenyl)-2-methylsulfanyl-N-propyl-N-prop-2-ynylimidazo[1,2-a]pyridin-3-amine?
The InChIKey is WOTUZDAURUCNHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19Cl2N3S/c1-4-10-24(11-5-2)20-19(26-3)23-18-16(7-6-12-25(18)20)15-9-8-14(21)13-17(15)22/h1,6-9,12-13H,5,10-11H2,2-3H3.
What are the key properties of 8-(2,4-dichlorophenyl)-2-methylsulfanyl-N-propyl-N-prop-2-ynylimidazo[1,2-a]pyridin-3-amine?
8-(2,4-dichlorophenyl)-2-methylsulfanyl-N-propyl-N-prop-2-ynylimidazo[1,2-a]pyridin-3-amine has a molecular weight of 404.37 g/mol, XLogP of 5.88, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,4-dichlorophenyl)-2-methylsulfanyl-N-propyl-N-prop-2-ynylimidazo[1,2-a]pyridin-3-amine is sourced from PubChem (CID 22024345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).