9-methyl-3-[2-[(3-pyrimidin-5-yl-2-pyridinyl)oxy]ethyl]pyrido[2,3-b]indole

C23H19N5O — CID 86302601

IUPAC9-methyl-3-[2-[(3-pyrimidin-5-yl-2-pyridinyl)oxy]ethyl]pyrido[2,3-b]indole
SMILESCn1c2ccccc2c2cc(CCOc3ncccc3-c3cncnc3)cnc21
InChIInChI=1S/C23H19N5O/c1-28-21-7-3-2-5-19(21)20-11-16(12-27-22(20)28)8-10-29-23-18(6-4-9-26-23)17-13-24-15-25-14-17/h2-7,9,11-15H,8,10H2,1H3
InChIKeyHBGATUHHGJXDEW-UHFFFAOYSA-N
MW381.44 g/mol
LogP4.20
Rot. Bonds5

About 9-methyl-3-[2-[(3-pyrimidin-5-yl-2-pyridinyl)oxy]ethyl]pyrido[2,3-b]indole

9-methyl-3-[2-[(3-pyrimidin-5-yl-2-pyridinyl)oxy]ethyl]pyrido[2,3-b]indole (PubChem CID 86302601) has the molecular formula C23H19N5O and a molecular weight of 381.44 g/mol. Its IUPAC name is 9-methyl-3-[2-[(3-pyrimidin-5-yl-2-pyridinyl)oxy]ethyl]pyrido[2,3-b]indole.

Molecular Properties

Compound Name9-methyl-3-[2-[(3-pyrimidin-5-yl-2-pyridinyl)oxy]ethyl]pyrido[2,3-b]indole
PubChem CID86302601
Molecular FormulaC23H19N5O
Molecular Weight381.44 g/mol
Exact Mass381.16
IUPAC Name9-methyl-3-[2-[(3-pyrimidin-5-yl-2-pyridinyl)oxy]ethyl]pyrido[2,3-b]indole
SMILESCn1c2ccccc2c2cc(CCOc3ncccc3-c3cncnc3)cnc21
InChIInChI=1S/C23H19N5O/c1-28-21-7-3-2-5-19(21)20-11-16(12-27-22(20)28)8-10-29-23-18(6-4-9-26-23)17-13-24-15-25-14-17/h2-7,9,11-15H,8,10H2,1H3
InChIKeyHBGATUHHGJXDEW-UHFFFAOYSA-N
XLogP4.20
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 9-methyl-3-[2-[(3-pyrimidin-5-yl-2-pyridinyl)oxy]ethyl]pyrido[2,3-b]indole?
The IUPAC name of 9-methyl-3-[2-[(3-pyrimidin-5-yl-2-pyridinyl)oxy]ethyl]pyrido[2,3-b]indole (CID 86302601) is 9-methyl-3-[2-[(3-pyrimidin-5-yl-2-pyridinyl)oxy]ethyl]pyrido[2,3-b]indole.
What is the SMILES notation for 9-methyl-3-[2-[(3-pyrimidin-5-yl-2-pyridinyl)oxy]ethyl]pyrido[2,3-b]indole?
The canonical SMILES for 9-methyl-3-[2-[(3-pyrimidin-5-yl-2-pyridinyl)oxy]ethyl]pyrido[2,3-b]indole is Cn1c2ccccc2c2cc(CCOc3ncccc3-c3cncnc3)cnc21.
What is the InChIKey of 9-methyl-3-[2-[(3-pyrimidin-5-yl-2-pyridinyl)oxy]ethyl]pyrido[2,3-b]indole?
The InChIKey is HBGATUHHGJXDEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5O/c1-28-21-7-3-2-5-19(21)20-11-16(12-27-22(20)28)8-10-29-23-18(6-4-9-26-23)17-13-24-15-25-14-17/h2-7,9,11-15H,8,10H2,1H3.
What are the key properties of 9-methyl-3-[2-[(3-pyrimidin-5-yl-2-pyridinyl)oxy]ethyl]pyrido[2,3-b]indole?
9-methyl-3-[2-[(3-pyrimidin-5-yl-2-pyridinyl)oxy]ethyl]pyrido[2,3-b]indole has a molecular weight of 381.44 g/mol, XLogP of 4.20, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-3-[2-[(3-pyrimidin-5-yl-2-pyridinyl)oxy]ethyl]pyrido[2,3-b]indole is sourced from PubChem (CID 86302601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).