N-(3-methoxyphenyl)-2-[5-(2-phenylethynyl)thiophen-2-yl]-8-phenylmethoxyimidazo[1,2-a]pyridin-3-amine

C33H25N3O2S — CID 11613407

IUPACN-(3-methoxyphenyl)-2-[5-(2-phenylethynyl)thiophen-2-yl]-8-phenylmethoxyimidazo[1,2-a]pyridin-3-amine
SMILESCOc1cccc(Nc2c(-c3ccc(C#Cc4ccccc4)s3)nc3c(OCc4ccccc4)cccn23)c1
InChIInChI=1S/C33H25N3O2S/c1-37-27-15-8-14-26(22-27)34-33-31(30-20-19-28(39-30)18-17-24-10-4-2-5-11-24)35-32-29(16-9-21-36(32)33)38-23-25-12-6-3-7-13-25/h2-16,19-22,34H,23H2,1H3
InChIKeySDAUPBCNPSJRSH-UHFFFAOYSA-N
MW527.65 g/mol
LogP7.79
Rot. Bonds7

About N-(3-methoxyphenyl)-2-[5-(2-phenylethynyl)thiophen-2-yl]-8-phenylmethoxyimidazo[1,2-a]pyridin-3-amine

N-(3-methoxyphenyl)-2-[5-(2-phenylethynyl)thiophen-2-yl]-8-phenylmethoxyimidazo[1,2-a]pyridin-3-amine (PubChem CID 11613407) has the molecular formula C33H25N3O2S and a molecular weight of 527.65 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-2-[5-(2-phenylethynyl)thiophen-2-yl]-8-phenylmethoxyimidazo[1,2-a]pyridin-3-amine.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-2-[5-(2-phenylethynyl)thiophen-2-yl]-8-phenylmethoxyimidazo[1,2-a]pyridin-3-amine
PubChem CID11613407
Molecular FormulaC33H25N3O2S
Molecular Weight527.65 g/mol
Exact Mass527.17
IUPAC NameN-(3-methoxyphenyl)-2-[5-(2-phenylethynyl)thiophen-2-yl]-8-phenylmethoxyimidazo[1,2-a]pyridin-3-amine
SMILESCOc1cccc(Nc2c(-c3ccc(C#Cc4ccccc4)s3)nc3c(OCc4ccccc4)cccn23)c1
InChIInChI=1S/C33H25N3O2S/c1-37-27-15-8-14-26(22-27)34-33-31(30-20-19-28(39-30)18-17-24-10-4-2-5-11-24)35-32-29(16-9-21-36(32)33)38-23-25-12-6-3-7-13-25/h2-16,19-22,34H,23H2,1H3
InChIKeySDAUPBCNPSJRSH-UHFFFAOYSA-N
XLogP7.79
TPSA47.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.65
LogP ≤ 57.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-2-[5-(2-phenylethynyl)thiophen-2-yl]-8-phenylmethoxyimidazo[1,2-a]pyridin-3-amine?
The IUPAC name of N-(3-methoxyphenyl)-2-[5-(2-phenylethynyl)thiophen-2-yl]-8-phenylmethoxyimidazo[1,2-a]pyridin-3-amine (CID 11613407) is N-(3-methoxyphenyl)-2-[5-(2-phenylethynyl)thiophen-2-yl]-8-phenylmethoxyimidazo[1,2-a]pyridin-3-amine.
What is the SMILES notation for N-(3-methoxyphenyl)-2-[5-(2-phenylethynyl)thiophen-2-yl]-8-phenylmethoxyimidazo[1,2-a]pyridin-3-amine?
The canonical SMILES for N-(3-methoxyphenyl)-2-[5-(2-phenylethynyl)thiophen-2-yl]-8-phenylmethoxyimidazo[1,2-a]pyridin-3-amine is COc1cccc(Nc2c(-c3ccc(C#Cc4ccccc4)s3)nc3c(OCc4ccccc4)cccn23)c1.
What is the InChIKey of N-(3-methoxyphenyl)-2-[5-(2-phenylethynyl)thiophen-2-yl]-8-phenylmethoxyimidazo[1,2-a]pyridin-3-amine?
The InChIKey is SDAUPBCNPSJRSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H25N3O2S/c1-37-27-15-8-14-26(22-27)34-33-31(30-20-19-28(39-30)18-17-24-10-4-2-5-11-24)35-32-29(16-9-21-36(32)33)38-23-25-12-6-3-7-13-25/h2-16,19-22,34H,23H2,1H3.
What are the key properties of N-(3-methoxyphenyl)-2-[5-(2-phenylethynyl)thiophen-2-yl]-8-phenylmethoxyimidazo[1,2-a]pyridin-3-amine?
N-(3-methoxyphenyl)-2-[5-(2-phenylethynyl)thiophen-2-yl]-8-phenylmethoxyimidazo[1,2-a]pyridin-3-amine has a molecular weight of 527.65 g/mol, XLogP of 7.79, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-2-[5-(2-phenylethynyl)thiophen-2-yl]-8-phenylmethoxyimidazo[1,2-a]pyridin-3-amine is sourced from PubChem (CID 11613407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).