N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[1-(4-methylphenyl)sulfonylindol-3-yl]imidazo[1,2-a]pyridin-3-amine

C32H30N4O4S — CID 155521771

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-2-[1-(4-methylphenyl)sulfonylindol-3-yl]imidazo[1,2-a]pyridin-3-amine
SMILESCOc1ccc(CCNc2c(-c3cn(S(=O)(=O)c4ccc(C)cc4)c4ccccc34)nc3ccccn23)cc1OC
InChIInChI=1S/C32H30N4O4S/c1-22-11-14-24(15-12-22)41(37,38)36-21-26(25-8-4-5-9-27(25)36)31-32(35-19-7-6-10-30(35)34-31)33-18-17-23-13-16-28(39-2)29(20-23)40-3/h4-16,19-21,33H,17-18H2,1-3H3
InChIKeyACFFKSJIZNMPRF-UHFFFAOYSA-N
MW566.68 g/mol
LogP6.17
Rot. Bonds9

About N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[1-(4-methylphenyl)sulfonylindol-3-yl]imidazo[1,2-a]pyridin-3-amine

N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[1-(4-methylphenyl)sulfonylindol-3-yl]imidazo[1,2-a]pyridin-3-amine (PubChem CID 155521771) has the molecular formula C32H30N4O4S and a molecular weight of 566.68 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[1-(4-methylphenyl)sulfonylindol-3-yl]imidazo[1,2-a]pyridin-3-amine.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-2-[1-(4-methylphenyl)sulfonylindol-3-yl]imidazo[1,2-a]pyridin-3-amine
PubChem CID155521771
Molecular FormulaC32H30N4O4S
Molecular Weight566.68 g/mol
Exact Mass566.20
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-2-[1-(4-methylphenyl)sulfonylindol-3-yl]imidazo[1,2-a]pyridin-3-amine
SMILESCOc1ccc(CCNc2c(-c3cn(S(=O)(=O)c4ccc(C)cc4)c4ccccc34)nc3ccccn23)cc1OC
InChIInChI=1S/C32H30N4O4S/c1-22-11-14-24(15-12-22)41(37,38)36-21-26(25-8-4-5-9-27(25)36)31-32(35-19-7-6-10-30(35)34-31)33-18-17-23-13-16-28(39-2)29(20-23)40-3/h4-16,19-21,33H,17-18H2,1-3H3
InChIKeyACFFKSJIZNMPRF-UHFFFAOYSA-N
XLogP6.17
TPSA86.86 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.68
LogP ≤ 56.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[1-(4-methylphenyl)sulfonylindol-3-yl]imidazo[1,2-a]pyridin-3-amine?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[1-(4-methylphenyl)sulfonylindol-3-yl]imidazo[1,2-a]pyridin-3-amine (CID 155521771) is N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[1-(4-methylphenyl)sulfonylindol-3-yl]imidazo[1,2-a]pyridin-3-amine.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[1-(4-methylphenyl)sulfonylindol-3-yl]imidazo[1,2-a]pyridin-3-amine?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[1-(4-methylphenyl)sulfonylindol-3-yl]imidazo[1,2-a]pyridin-3-amine is COc1ccc(CCNc2c(-c3cn(S(=O)(=O)c4ccc(C)cc4)c4ccccc34)nc3ccccn23)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[1-(4-methylphenyl)sulfonylindol-3-yl]imidazo[1,2-a]pyridin-3-amine?
The InChIKey is ACFFKSJIZNMPRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30N4O4S/c1-22-11-14-24(15-12-22)41(37,38)36-21-26(25-8-4-5-9-27(25)36)31-32(35-19-7-6-10-30(35)34-31)33-18-17-23-13-16-28(39-2)29(20-23)40-3/h4-16,19-21,33H,17-18H2,1-3H3.
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[1-(4-methylphenyl)sulfonylindol-3-yl]imidazo[1,2-a]pyridin-3-amine?
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[1-(4-methylphenyl)sulfonylindol-3-yl]imidazo[1,2-a]pyridin-3-amine has a molecular weight of 566.68 g/mol, XLogP of 6.17, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[1-(4-methylphenyl)sulfonylindol-3-yl]imidazo[1,2-a]pyridin-3-amine is sourced from PubChem (CID 155521771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).