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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Related Compounds

N-(4-fluorophenyl)-1-methyl-2-pyridin-3-ylpyrrolo[3,2-c]pyridin-4-amine
CID 71729576
1-methyl-2-pyridin-3-yl-N-(3,4,5-trimethoxyphenyl)pyrrolo[3,2-c]pyridin-4-amine
CID 71448683
N-(3-fluorophenyl)-2-(3-methoxyphenyl)-1-methylpyrrolo[3,2-c]pyridin-4-amine
CID 71728544
N-[3-[(1-methyl-2-phenylpyrrolo[3,2-c]pyridin-4-yl)amino]phenyl]methanesulfonamide
CID 71729400
1-methyl-N-(4-phenoxyphenyl)imidazol-2-amine
CID 106556281
2-(3-methoxyphenyl)-N-(4-phenoxyphenyl)-1H-pyrrolo[3,2-c]pyridin-4-amine
CID 155554853
7-methyl-N-(4-phenoxyphenyl)thieno[3,2-c]pyridin-4-amine
CID 67624921
5-[[2-[4-(dimethylamino)phenyl]-1-methylpyrrolo[3,2-c]pyridin-4-yl]amino]-2-ethylphenol
CID 144764924
N-(6-chloro-3-pyridinyl)-6-phenoxyisoquinolin-1-amine
CID 170435766
4-(dimethylamino)-2-(4-phenoxyanilino)pyridine-3-carbonitrile
CID 1470989
N-(4-phenoxyphenyl)-2-(5-thiophen-3-yltetrazol-2-yl)acetamide
CID 9128090
4-N-(4-methyl-2-pyridinyl)-6-N-(4-phenoxyphenyl)pyrimidine-4,5,6-triamine
CID 22545280

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).