1-methyl-N-(4-phenoxyphenyl)-2-thiophen-3-ylpyrrolo[3,2-c]pyridin-4-amine

C24H19N3OS — CID 71728682

IUPAC1-methyl-N-(4-phenoxyphenyl)-2-thiophen-3-ylpyrrolo[3,2-c]pyridin-4-amine
SMILESCn1c(-c2ccsc2)cc2c(Nc3ccc(Oc4ccccc4)cc3)nccc21
InChIInChI=1S/C24H19N3OS/c1-27-22-11-13-25-24(21(22)15-23(27)17-12-14-29-16-17)26-18-7-9-20(10-8-18)28-19-5-3-2-4-6-19/h2-16H,1H3,(H,25,26)
InChIKeyAHOHMJCETFLBRV-UHFFFAOYSA-N
MW397.50 g/mol
LogP6.84
Rot. Bonds5

About 1-methyl-N-(4-phenoxyphenyl)-2-thiophen-3-ylpyrrolo[3,2-c]pyridin-4-amine

1-methyl-N-(4-phenoxyphenyl)-2-thiophen-3-ylpyrrolo[3,2-c]pyridin-4-amine (PubChem CID 71728682) has the molecular formula C24H19N3OS and a molecular weight of 397.50 g/mol. Its IUPAC name is 1-methyl-N-(4-phenoxyphenyl)-2-thiophen-3-ylpyrrolo[3,2-c]pyridin-4-amine.

Molecular Properties

Compound Name1-methyl-N-(4-phenoxyphenyl)-2-thiophen-3-ylpyrrolo[3,2-c]pyridin-4-amine
PubChem CID71728682
Molecular FormulaC24H19N3OS
Molecular Weight397.50 g/mol
Exact Mass397.12
IUPAC Name1-methyl-N-(4-phenoxyphenyl)-2-thiophen-3-ylpyrrolo[3,2-c]pyridin-4-amine
SMILESCn1c(-c2ccsc2)cc2c(Nc3ccc(Oc4ccccc4)cc3)nccc21
InChIInChI=1S/C24H19N3OS/c1-27-22-11-13-25-24(21(22)15-23(27)17-12-14-29-16-17)26-18-7-9-20(10-8-18)28-19-5-3-2-4-6-19/h2-16H,1H3,(H,25,26)
InChIKeyAHOHMJCETFLBRV-UHFFFAOYSA-N
XLogP6.84
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.50
LogP ≤ 56.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(4-phenoxyphenyl)-2-thiophen-3-ylpyrrolo[3,2-c]pyridin-4-amine?
The IUPAC name of 1-methyl-N-(4-phenoxyphenyl)-2-thiophen-3-ylpyrrolo[3,2-c]pyridin-4-amine (CID 71728682) is 1-methyl-N-(4-phenoxyphenyl)-2-thiophen-3-ylpyrrolo[3,2-c]pyridin-4-amine.
What is the SMILES notation for 1-methyl-N-(4-phenoxyphenyl)-2-thiophen-3-ylpyrrolo[3,2-c]pyridin-4-amine?
The canonical SMILES for 1-methyl-N-(4-phenoxyphenyl)-2-thiophen-3-ylpyrrolo[3,2-c]pyridin-4-amine is Cn1c(-c2ccsc2)cc2c(Nc3ccc(Oc4ccccc4)cc3)nccc21.
What is the InChIKey of 1-methyl-N-(4-phenoxyphenyl)-2-thiophen-3-ylpyrrolo[3,2-c]pyridin-4-amine?
The InChIKey is AHOHMJCETFLBRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3OS/c1-27-22-11-13-25-24(21(22)15-23(27)17-12-14-29-16-17)26-18-7-9-20(10-8-18)28-19-5-3-2-4-6-19/h2-16H,1H3,(H,25,26).
What are the key properties of 1-methyl-N-(4-phenoxyphenyl)-2-thiophen-3-ylpyrrolo[3,2-c]pyridin-4-amine?
1-methyl-N-(4-phenoxyphenyl)-2-thiophen-3-ylpyrrolo[3,2-c]pyridin-4-amine has a molecular weight of 397.50 g/mol, XLogP of 6.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(4-phenoxyphenyl)-2-thiophen-3-ylpyrrolo[3,2-c]pyridin-4-amine is sourced from PubChem (CID 71728682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).