9-methyl-3-[2-[(3-pyridin-4-yl-2-pyridinyl)oxy]ethyl]pyrido[2,3-b]indole

C24H20N4O — CID 90656268

IUPAC9-methyl-3-[2-[(3-pyridin-4-yl-2-pyridinyl)oxy]ethyl]pyrido[2,3-b]indole
SMILESCn1c2ccccc2c2cc(CCOc3ncccc3-c3ccncc3)cnc21
InChIInChI=1S/C24H20N4O/c1-28-22-7-3-2-5-20(22)21-15-17(16-27-23(21)28)10-14-29-24-19(6-4-11-26-24)18-8-12-25-13-9-18/h2-9,11-13,15-16H,10,14H2,1H3
InChIKeyNEJYUBWTLOJWNV-UHFFFAOYSA-N
MW380.45 g/mol
LogP4.80
Rot. Bonds5

About 9-methyl-3-[2-[(3-pyridin-4-yl-2-pyridinyl)oxy]ethyl]pyrido[2,3-b]indole

9-methyl-3-[2-[(3-pyridin-4-yl-2-pyridinyl)oxy]ethyl]pyrido[2,3-b]indole (PubChem CID 90656268) has the molecular formula C24H20N4O and a molecular weight of 380.45 g/mol. Its IUPAC name is 9-methyl-3-[2-[(3-pyridin-4-yl-2-pyridinyl)oxy]ethyl]pyrido[2,3-b]indole.

Molecular Properties

Compound Name9-methyl-3-[2-[(3-pyridin-4-yl-2-pyridinyl)oxy]ethyl]pyrido[2,3-b]indole
PubChem CID90656268
Molecular FormulaC24H20N4O
Molecular Weight380.45 g/mol
Exact Mass380.16
IUPAC Name9-methyl-3-[2-[(3-pyridin-4-yl-2-pyridinyl)oxy]ethyl]pyrido[2,3-b]indole
SMILESCn1c2ccccc2c2cc(CCOc3ncccc3-c3ccncc3)cnc21
InChIInChI=1S/C24H20N4O/c1-28-22-7-3-2-5-20(22)21-15-17(16-27-23(21)28)10-14-29-24-19(6-4-11-26-24)18-8-12-25-13-9-18/h2-9,11-13,15-16H,10,14H2,1H3
InChIKeyNEJYUBWTLOJWNV-UHFFFAOYSA-N
XLogP4.80
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-methyl-3-[2-[(3-pyridin-4-yl-2-pyridinyl)oxy]ethyl]pyrido[2,3-b]indole?
The IUPAC name of 9-methyl-3-[2-[(3-pyridin-4-yl-2-pyridinyl)oxy]ethyl]pyrido[2,3-b]indole (CID 90656268) is 9-methyl-3-[2-[(3-pyridin-4-yl-2-pyridinyl)oxy]ethyl]pyrido[2,3-b]indole.
What is the SMILES notation for 9-methyl-3-[2-[(3-pyridin-4-yl-2-pyridinyl)oxy]ethyl]pyrido[2,3-b]indole?
The canonical SMILES for 9-methyl-3-[2-[(3-pyridin-4-yl-2-pyridinyl)oxy]ethyl]pyrido[2,3-b]indole is Cn1c2ccccc2c2cc(CCOc3ncccc3-c3ccncc3)cnc21.
What is the InChIKey of 9-methyl-3-[2-[(3-pyridin-4-yl-2-pyridinyl)oxy]ethyl]pyrido[2,3-b]indole?
The InChIKey is NEJYUBWTLOJWNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O/c1-28-22-7-3-2-5-20(22)21-15-17(16-27-23(21)28)10-14-29-24-19(6-4-11-26-24)18-8-12-25-13-9-18/h2-9,11-13,15-16H,10,14H2,1H3.
What are the key properties of 9-methyl-3-[2-[(3-pyridin-4-yl-2-pyridinyl)oxy]ethyl]pyrido[2,3-b]indole?
9-methyl-3-[2-[(3-pyridin-4-yl-2-pyridinyl)oxy]ethyl]pyrido[2,3-b]indole has a molecular weight of 380.45 g/mol, XLogP of 4.80, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-3-[2-[(3-pyridin-4-yl-2-pyridinyl)oxy]ethyl]pyrido[2,3-b]indole is sourced from PubChem (CID 90656268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).