2-(3-methoxyphenyl)-N-(4-phenoxyphenyl)-1H-pyrrolo[3,2-c]pyridin-4-amine

C26H21N3O2 — CID 155554853

IUPAC2-(3-methoxyphenyl)-N-(4-phenoxyphenyl)-1H-pyrrolo[3,2-c]pyridin-4-amine
SMILESCOc1cccc(-c2cc3c(Nc4ccc(Oc5ccccc5)cc4)nccc3[nH]2)c1
InChIInChI=1S/C26H21N3O2/c1-30-22-9-5-6-18(16-22)25-17-23-24(29-25)14-15-27-26(23)28-19-10-12-21(13-11-19)31-20-7-3-2-4-8-20/h2-17,29H,1H3,(H,27,28)
InChIKeyRZKFUTAFGWXAIA-UHFFFAOYSA-N
MW407.47 g/mol
LogP6.77
Rot. Bonds6

About 2-(3-methoxyphenyl)-N-(4-phenoxyphenyl)-1H-pyrrolo[3,2-c]pyridin-4-amine

2-(3-methoxyphenyl)-N-(4-phenoxyphenyl)-1H-pyrrolo[3,2-c]pyridin-4-amine (PubChem CID 155554853) has the molecular formula C26H21N3O2 and a molecular weight of 407.47 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-N-(4-phenoxyphenyl)-1H-pyrrolo[3,2-c]pyridin-4-amine.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-N-(4-phenoxyphenyl)-1H-pyrrolo[3,2-c]pyridin-4-amine
PubChem CID155554853
Molecular FormulaC26H21N3O2
Molecular Weight407.47 g/mol
Exact Mass407.16
IUPAC Name2-(3-methoxyphenyl)-N-(4-phenoxyphenyl)-1H-pyrrolo[3,2-c]pyridin-4-amine
SMILESCOc1cccc(-c2cc3c(Nc4ccc(Oc5ccccc5)cc4)nccc3[nH]2)c1
InChIInChI=1S/C26H21N3O2/c1-30-22-9-5-6-18(16-22)25-17-23-24(29-25)14-15-27-26(23)28-19-10-12-21(13-11-19)31-20-7-3-2-4-8-20/h2-17,29H,1H3,(H,27,28)
InChIKeyRZKFUTAFGWXAIA-UHFFFAOYSA-N
XLogP6.77
TPSA59.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.47
LogP ≤ 56.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-N-(4-phenoxyphenyl)-1H-pyrrolo[3,2-c]pyridin-4-amine?
The IUPAC name of 2-(3-methoxyphenyl)-N-(4-phenoxyphenyl)-1H-pyrrolo[3,2-c]pyridin-4-amine (CID 155554853) is 2-(3-methoxyphenyl)-N-(4-phenoxyphenyl)-1H-pyrrolo[3,2-c]pyridin-4-amine.
What is the SMILES notation for 2-(3-methoxyphenyl)-N-(4-phenoxyphenyl)-1H-pyrrolo[3,2-c]pyridin-4-amine?
The canonical SMILES for 2-(3-methoxyphenyl)-N-(4-phenoxyphenyl)-1H-pyrrolo[3,2-c]pyridin-4-amine is COc1cccc(-c2cc3c(Nc4ccc(Oc5ccccc5)cc4)nccc3[nH]2)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-N-(4-phenoxyphenyl)-1H-pyrrolo[3,2-c]pyridin-4-amine?
The InChIKey is RZKFUTAFGWXAIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N3O2/c1-30-22-9-5-6-18(16-22)25-17-23-24(29-25)14-15-27-26(23)28-19-10-12-21(13-11-19)31-20-7-3-2-4-8-20/h2-17,29H,1H3,(H,27,28).
What are the key properties of 2-(3-methoxyphenyl)-N-(4-phenoxyphenyl)-1H-pyrrolo[3,2-c]pyridin-4-amine?
2-(3-methoxyphenyl)-N-(4-phenoxyphenyl)-1H-pyrrolo[3,2-c]pyridin-4-amine has a molecular weight of 407.47 g/mol, XLogP of 6.77, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-N-(4-phenoxyphenyl)-1H-pyrrolo[3,2-c]pyridin-4-amine is sourced from PubChem (CID 155554853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).