tris(2-methylimidazo[1,2-a]pyridin-3-yl)phosphane

C24H21N6P — CID 4091450

IUPACtris(2-methylimidazo[1,2-a]pyridin-3-yl)phosphane
SMILESCc1nc2ccccn2c1P(c1c(C)nc2ccccn12)c1c(C)nc2ccccn12
InChIInChI=1S/C24H21N6P/c1-16-22(28-13-7-4-10-19(28)25-16)31(23-17(2)26-20-11-5-8-14-29(20)23)24-18(3)27-21-12-6-9-15-30(21)24/h4-15H,1-3H3
InChIKeyJOKDXCUTOFAFDH-UHFFFAOYSA-N
MW424.45 g/mol
LogP3.31
Rot. Bonds3

About tris(2-methylimidazo[1,2-a]pyridin-3-yl)phosphane

tris(2-methylimidazo[1,2-a]pyridin-3-yl)phosphane (PubChem CID 4091450) has the molecular formula C24H21N6P and a molecular weight of 424.45 g/mol. Its IUPAC name is tris(2-methylimidazo[1,2-a]pyridin-3-yl)phosphane.

Molecular Properties

Compound Nametris(2-methylimidazo[1,2-a]pyridin-3-yl)phosphane
PubChem CID4091450
Molecular FormulaC24H21N6P
Molecular Weight424.45 g/mol
Exact Mass424.16
IUPAC Nametris(2-methylimidazo[1,2-a]pyridin-3-yl)phosphane
SMILESCc1nc2ccccn2c1P(c1c(C)nc2ccccn12)c1c(C)nc2ccccn12
InChIInChI=1S/C24H21N6P/c1-16-22(28-13-7-4-10-19(28)25-16)31(23-17(2)26-20-11-5-8-14-29(20)23)24-18(3)27-21-12-6-9-15-30(21)24/h4-15H,1-3H3
InChIKeyJOKDXCUTOFAFDH-UHFFFAOYSA-N
XLogP3.31
TPSA51.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.45
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tris(2-methylimidazo[1,2-a]pyridin-3-yl)phosphane?
The IUPAC name of tris(2-methylimidazo[1,2-a]pyridin-3-yl)phosphane (CID 4091450) is tris(2-methylimidazo[1,2-a]pyridin-3-yl)phosphane.
What is the SMILES notation for tris(2-methylimidazo[1,2-a]pyridin-3-yl)phosphane?
The canonical SMILES for tris(2-methylimidazo[1,2-a]pyridin-3-yl)phosphane is Cc1nc2ccccn2c1P(c1c(C)nc2ccccn12)c1c(C)nc2ccccn12.
What is the InChIKey of tris(2-methylimidazo[1,2-a]pyridin-3-yl)phosphane?
The InChIKey is JOKDXCUTOFAFDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N6P/c1-16-22(28-13-7-4-10-19(28)25-16)31(23-17(2)26-20-11-5-8-14-29(20)23)24-18(3)27-21-12-6-9-15-30(21)24/h4-15H,1-3H3.
What are the key properties of tris(2-methylimidazo[1,2-a]pyridin-3-yl)phosphane?
tris(2-methylimidazo[1,2-a]pyridin-3-yl)phosphane has a molecular weight of 424.45 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tris(2-methylimidazo[1,2-a]pyridin-3-yl)phosphane is sourced from PubChem (CID 4091450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).