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

C19H15N3O — CID 146451999

IUPAC5-(5-methoxy-3-pyridinyl)-2-pyridin-4-yl-1H-indole
SMILESCOc1cncc(-c2ccc3[nH]c(-c4ccncc4)cc3c2)c1
InChIInChI=1S/C19H15N3O/c1-23-17-9-16(11-21-12-17)14-2-3-18-15(8-14)10-19(22-18)13-4-6-20-7-5-13/h2-12,22H,1H3
InChIKeyPBSXYGJXXQLNLT-UHFFFAOYSA-N
MW301.35 g/mol
LogP4.30
Rot. Bonds3

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

5-(5-methoxy-3-pyridinyl)-2-pyridin-4-yl-1H-indole (PubChem CID 146451999) has the molecular formula C19H15N3O and a molecular weight of 301.35 g/mol. Its IUPAC name is 5-(5-methoxy-3-pyridinyl)-2-pyridin-4-yl-1H-indole.

Molecular Properties

Compound Name5-(5-methoxy-3-pyridinyl)-2-pyridin-4-yl-1H-indole
PubChem CID146451999
Molecular FormulaC19H15N3O
Molecular Weight301.35 g/mol
Exact Mass301.12
IUPAC Name5-(5-methoxy-3-pyridinyl)-2-pyridin-4-yl-1H-indole
SMILESCOc1cncc(-c2ccc3[nH]c(-c4ccncc4)cc3c2)c1
InChIInChI=1S/C19H15N3O/c1-23-17-9-16(11-21-12-17)14-2-3-18-15(8-14)10-19(22-18)13-4-6-20-7-5-13/h2-12,22H,1H3
InChIKeyPBSXYGJXXQLNLT-UHFFFAOYSA-N
XLogP4.30
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(5-methoxy-3-pyridinyl)-2-pyridin-4-yl-1H-indole?
The IUPAC name of 5-(5-methoxy-3-pyridinyl)-2-pyridin-4-yl-1H-indole (CID 146451999) is 5-(5-methoxy-3-pyridinyl)-2-pyridin-4-yl-1H-indole.
What is the SMILES notation for 5-(5-methoxy-3-pyridinyl)-2-pyridin-4-yl-1H-indole?
The canonical SMILES for 5-(5-methoxy-3-pyridinyl)-2-pyridin-4-yl-1H-indole is COc1cncc(-c2ccc3[nH]c(-c4ccncc4)cc3c2)c1.
What is the InChIKey of 5-(5-methoxy-3-pyridinyl)-2-pyridin-4-yl-1H-indole?
The InChIKey is PBSXYGJXXQLNLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O/c1-23-17-9-16(11-21-12-17)14-2-3-18-15(8-14)10-19(22-18)13-4-6-20-7-5-13/h2-12,22H,1H3.
What are the key properties of 5-(5-methoxy-3-pyridinyl)-2-pyridin-4-yl-1H-indole?
5-(5-methoxy-3-pyridinyl)-2-pyridin-4-yl-1H-indole has a molecular weight of 301.35 g/mol, XLogP of 4.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methoxy-3-pyridinyl)-2-pyridin-4-yl-1H-indole is sourced from PubChem (CID 146451999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).