9-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-1,2-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indole

C26H24N4 — CID 58663548

IUPAC9-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-1,2-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indole
SMILESCC1c2c(c3ccccc3n2-c2ccc(-c3cn4ccccc4n3)cc2)CCN1C
InChIInChI=1S/C26H24N4/c1-18-26-22(14-16-28(18)2)21-7-3-4-8-24(21)30(26)20-12-10-19(11-13-20)23-17-29-15-6-5-9-25(29)27-23/h3-13,15,17-18H,14,16H2,1-2H3
InChIKeyKMAJGZBBLQSIIU-UHFFFAOYSA-N
MW392.51 g/mol
LogP5.49
Rot. Bonds2

About 9-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-1,2-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indole

9-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-1,2-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indole (PubChem CID 58663548) has the molecular formula C26H24N4 and a molecular weight of 392.51 g/mol. Its IUPAC name is 9-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-1,2-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indole.

Molecular Properties

Compound Name9-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-1,2-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indole
PubChem CID58663548
Molecular FormulaC26H24N4
Molecular Weight392.51 g/mol
Exact Mass392.20
IUPAC Name9-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-1,2-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indole
SMILESCC1c2c(c3ccccc3n2-c2ccc(-c3cn4ccccc4n3)cc2)CCN1C
InChIInChI=1S/C26H24N4/c1-18-26-22(14-16-28(18)2)21-7-3-4-8-24(21)30(26)20-12-10-19(11-13-20)23-17-29-15-6-5-9-25(29)27-23/h3-13,15,17-18H,14,16H2,1-2H3
InChIKeyKMAJGZBBLQSIIU-UHFFFAOYSA-N
XLogP5.49
TPSA25.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.51
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-[3-(1,2-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-5-(3,5-diphenylphenyl)phenyl]-1,2-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indole
CID 58663611
9-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]-1-methyl-2-propyl-3,4-dihydro-1H-pyrido[3,4-b]indole
CID 58663490
9-[6-(1,2-dimethyl-3,4,4a,9a-tetrahydro-1H-pyrido[3,4-b]indol-9-yl)-4-[4-(1,2-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)phenyl]-2-pyridinyl]-1,2-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indole
CID 58663524
3,6-bis(4-imidazo[1,2-a]pyridin-2-ylphenyl)-9-phenylcarbazole;9-phenyl-3-[4-(2-phenyl-6-pyridin-2-yl-4-pyridinyl)phenyl]-6-[4-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)phenyl]carbazole;9-phenyl-3-[4-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)phenyl]-6-[4-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 159001249
2-imidazo[1,2-a]pyridin-2-yl-9-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)carbazole
CID 168835795
3-[4-(5,6-dihydroimidazo[1,2-a]pyridin-2-yl)phenyl]-6-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-9-phenylcarbazole
CID 67628160
11-cyclohepta-1,4,6-trien-1-yl-12-(4-imidazo[1,2-a]pyridin-2-ylphenyl)indolo[2,3-a]carbazole
CID 144549229
2-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine
CID 115403226
2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-imidazo[1,2-a]pyridin-2-yl-9-phenylcarbazole
CID 168835786
3,6-diphenyl-9-[5-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)pyrimidin-2-yl]carbazole;9-(5-imidazo[1,2-a]pyridin-2-ylpyrimidin-2-yl)carbazole;9-[5-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)pyrimidin-2-yl]carbazole
CID 162194616
9-[4-(4-imidazo[1,2-a]pyridin-2-ylphenyl)dibenzothiophen-3-yl]carbazole
CID 118530396
2-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]imidazo[1,2-a]pyridine;2-[4-[4,6-di(phenanthren-9-yl)-1,3,5-triazin-2-yl]phenyl]imidazo[1,2-a]pyridine;2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]imidazo[1,2-a]pyridine
CID 159814445

Frequently Asked Questions

What is the IUPAC name of 9-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-1,2-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indole?
The IUPAC name of 9-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-1,2-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indole (CID 58663548) is 9-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-1,2-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indole.
What is the SMILES notation for 9-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-1,2-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indole?
The canonical SMILES for 9-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-1,2-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indole is CC1c2c(c3ccccc3n2-c2ccc(-c3cn4ccccc4n3)cc2)CCN1C.
What is the InChIKey of 9-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-1,2-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indole?
The InChIKey is KMAJGZBBLQSIIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4/c1-18-26-22(14-16-28(18)2)21-7-3-4-8-24(21)30(26)20-12-10-19(11-13-20)23-17-29-15-6-5-9-25(29)27-23/h3-13,15,17-18H,14,16H2,1-2H3.
What are the key properties of 9-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-1,2-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indole?
9-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-1,2-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indole has a molecular weight of 392.51 g/mol, XLogP of 5.49, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-1,2-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indole is sourced from PubChem (CID 58663548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).