2-(2-methoxy-4-pyridinyl)-5-(5-methoxy-3-pyridinyl)-1H-indole

C20H17N3O2 — CID 146451953

IUPAC2-(2-methoxy-4-pyridinyl)-5-(5-methoxy-3-pyridinyl)-1H-indole
SMILESCOc1cncc(-c2ccc3[nH]c(-c4ccnc(OC)c4)cc3c2)c1
InChIInChI=1S/C20H17N3O2/c1-24-17-8-16(11-21-12-17)13-3-4-18-15(7-13)9-19(23-18)14-5-6-22-20(10-14)25-2/h3-12,23H,1-2H3
InChIKeyYRBHTKDYJJEHFO-UHFFFAOYSA-N
MW331.38 g/mol
LogP4.31
Rot. Bonds4

About 2-(2-methoxy-4-pyridinyl)-5-(5-methoxy-3-pyridinyl)-1H-indole

2-(2-methoxy-4-pyridinyl)-5-(5-methoxy-3-pyridinyl)-1H-indole (PubChem CID 146451953) has the molecular formula C20H17N3O2 and a molecular weight of 331.38 g/mol. Its IUPAC name is 2-(2-methoxy-4-pyridinyl)-5-(5-methoxy-3-pyridinyl)-1H-indole.

Molecular Properties

Compound Name2-(2-methoxy-4-pyridinyl)-5-(5-methoxy-3-pyridinyl)-1H-indole
PubChem CID146451953
Molecular FormulaC20H17N3O2
Molecular Weight331.38 g/mol
Exact Mass331.13
IUPAC Name2-(2-methoxy-4-pyridinyl)-5-(5-methoxy-3-pyridinyl)-1H-indole
SMILESCOc1cncc(-c2ccc3[nH]c(-c4ccnc(OC)c4)cc3c2)c1
InChIInChI=1S/C20H17N3O2/c1-24-17-8-16(11-21-12-17)13-3-4-18-15(7-13)9-19(23-18)14-5-6-22-20(10-14)25-2/h3-12,23H,1-2H3
InChIKeyYRBHTKDYJJEHFO-UHFFFAOYSA-N
XLogP4.31
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-4-pyridinyl)-5-(5-methoxy-3-pyridinyl)-1H-indole?
The IUPAC name of 2-(2-methoxy-4-pyridinyl)-5-(5-methoxy-3-pyridinyl)-1H-indole (CID 146451953) is 2-(2-methoxy-4-pyridinyl)-5-(5-methoxy-3-pyridinyl)-1H-indole.
What is the SMILES notation for 2-(2-methoxy-4-pyridinyl)-5-(5-methoxy-3-pyridinyl)-1H-indole?
The canonical SMILES for 2-(2-methoxy-4-pyridinyl)-5-(5-methoxy-3-pyridinyl)-1H-indole is COc1cncc(-c2ccc3[nH]c(-c4ccnc(OC)c4)cc3c2)c1.
What is the InChIKey of 2-(2-methoxy-4-pyridinyl)-5-(5-methoxy-3-pyridinyl)-1H-indole?
The InChIKey is YRBHTKDYJJEHFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O2/c1-24-17-8-16(11-21-12-17)13-3-4-18-15(7-13)9-19(23-18)14-5-6-22-20(10-14)25-2/h3-12,23H,1-2H3.
What are the key properties of 2-(2-methoxy-4-pyridinyl)-5-(5-methoxy-3-pyridinyl)-1H-indole?
2-(2-methoxy-4-pyridinyl)-5-(5-methoxy-3-pyridinyl)-1H-indole has a molecular weight of 331.38 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-4-pyridinyl)-5-(5-methoxy-3-pyridinyl)-1H-indole is sourced from PubChem (CID 146451953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).