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

C24H21N5O — CID 90656270

IUPAC9-methyl-3-[3-[(3-pyrimidin-5-yl-2-pyridinyl)oxy]propyl]pyrido[2,3-b]indole
SMILESCn1c2ccccc2c2cc(CCCOc3ncccc3-c3cncnc3)cnc21
InChIInChI=1S/C24H21N5O/c1-29-22-9-3-2-7-20(22)21-12-17(13-28-23(21)29)6-5-11-30-24-19(8-4-10-27-24)18-14-25-16-26-15-18/h2-4,7-10,12-16H,5-6,11H2,1H3
InChIKeyDEXPALNJYHZNOE-UHFFFAOYSA-N
MW395.47 g/mol
LogP4.59
Rot. Bonds6

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

9-methyl-3-[3-[(3-pyrimidin-5-yl-2-pyridinyl)oxy]propyl]pyrido[2,3-b]indole (PubChem CID 90656270) has the molecular formula C24H21N5O and a molecular weight of 395.47 g/mol. Its IUPAC name is 9-methyl-3-[3-[(3-pyrimidin-5-yl-2-pyridinyl)oxy]propyl]pyrido[2,3-b]indole.

Molecular Properties

Compound Name9-methyl-3-[3-[(3-pyrimidin-5-yl-2-pyridinyl)oxy]propyl]pyrido[2,3-b]indole
PubChem CID90656270
Molecular FormulaC24H21N5O
Molecular Weight395.47 g/mol
Exact Mass395.17
IUPAC Name9-methyl-3-[3-[(3-pyrimidin-5-yl-2-pyridinyl)oxy]propyl]pyrido[2,3-b]indole
SMILESCn1c2ccccc2c2cc(CCCOc3ncccc3-c3cncnc3)cnc21
InChIInChI=1S/C24H21N5O/c1-29-22-9-3-2-7-20(22)21-12-17(13-28-23(21)29)6-5-11-30-24-19(8-4-10-27-24)18-14-25-16-26-15-18/h2-4,7-10,12-16H,5-6,11H2,1H3
InChIKeyDEXPALNJYHZNOE-UHFFFAOYSA-N
XLogP4.59
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.47
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-methyl-3-[3-[(3-pyrimidin-5-yl-2-pyridinyl)oxy]propyl]pyrido[2,3-b]indole?
The IUPAC name of 9-methyl-3-[3-[(3-pyrimidin-5-yl-2-pyridinyl)oxy]propyl]pyrido[2,3-b]indole (CID 90656270) is 9-methyl-3-[3-[(3-pyrimidin-5-yl-2-pyridinyl)oxy]propyl]pyrido[2,3-b]indole.
What is the SMILES notation for 9-methyl-3-[3-[(3-pyrimidin-5-yl-2-pyridinyl)oxy]propyl]pyrido[2,3-b]indole?
The canonical SMILES for 9-methyl-3-[3-[(3-pyrimidin-5-yl-2-pyridinyl)oxy]propyl]pyrido[2,3-b]indole is Cn1c2ccccc2c2cc(CCCOc3ncccc3-c3cncnc3)cnc21.
What is the InChIKey of 9-methyl-3-[3-[(3-pyrimidin-5-yl-2-pyridinyl)oxy]propyl]pyrido[2,3-b]indole?
The InChIKey is DEXPALNJYHZNOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O/c1-29-22-9-3-2-7-20(22)21-12-17(13-28-23(21)29)6-5-11-30-24-19(8-4-10-27-24)18-14-25-16-26-15-18/h2-4,7-10,12-16H,5-6,11H2,1H3.
What are the key properties of 9-methyl-3-[3-[(3-pyrimidin-5-yl-2-pyridinyl)oxy]propyl]pyrido[2,3-b]indole?
9-methyl-3-[3-[(3-pyrimidin-5-yl-2-pyridinyl)oxy]propyl]pyrido[2,3-b]indole has a molecular weight of 395.47 g/mol, XLogP of 4.59, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-3-[3-[(3-pyrimidin-5-yl-2-pyridinyl)oxy]propyl]pyrido[2,3-b]indole is sourced from PubChem (CID 90656270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).