2-[[5-(3H-imidazo[1,5-a]pyridin-2-yl)-3-pyridinyl]oxy]-9-pyridin-2-ylcarbazole

C29H21N5O — CID 153428419

IUPAC2-[[5-(3H-imidazo[1,5-a]pyridin-2-yl)-3-pyridinyl]oxy]-9-pyridin-2-ylcarbazole
SMILESC1=CC2=CN(c3cncc(Oc4ccc5c6ccccc6n(-c6ccccn6)c5c4)c3)CN2C=C1
InChIInChI=1S/C29H21N5O/c1-2-9-27-25(8-1)26-12-11-23(16-28(26)34(27)29-10-3-5-13-31-29)35-24-15-22(17-30-18-24)33-19-21-7-4-6-14-32(21)20-33/h1-19H,20H2
InChIKeyFZSOKGAMAWNNCL-UHFFFAOYSA-N
MW455.52 g/mol
LogP6.37
Rot. Bonds4

About 2-[[5-(3H-imidazo[1,5-a]pyridin-2-yl)-3-pyridinyl]oxy]-9-pyridin-2-ylcarbazole

2-[[5-(3H-imidazo[1,5-a]pyridin-2-yl)-3-pyridinyl]oxy]-9-pyridin-2-ylcarbazole (PubChem CID 153428419) has the molecular formula C29H21N5O and a molecular weight of 455.52 g/mol. Its IUPAC name is 2-[[5-(3H-imidazo[1,5-a]pyridin-2-yl)-3-pyridinyl]oxy]-9-pyridin-2-ylcarbazole.

Molecular Properties

Compound Name2-[[5-(3H-imidazo[1,5-a]pyridin-2-yl)-3-pyridinyl]oxy]-9-pyridin-2-ylcarbazole
PubChem CID153428419
Molecular FormulaC29H21N5O
Molecular Weight455.52 g/mol
Exact Mass455.17
IUPAC Name2-[[5-(3H-imidazo[1,5-a]pyridin-2-yl)-3-pyridinyl]oxy]-9-pyridin-2-ylcarbazole
SMILESC1=CC2=CN(c3cncc(Oc4ccc5c6ccccc6n(-c6ccccn6)c5c4)c3)CN2C=C1
InChIInChI=1S/C29H21N5O/c1-2-9-27-25(8-1)26-12-11-23(16-28(26)34(27)29-10-3-5-13-31-29)35-24-15-22(17-30-18-24)33-19-21-7-4-6-14-32(21)20-33/h1-19H,20H2
InChIKeyFZSOKGAMAWNNCL-UHFFFAOYSA-N
XLogP6.37
TPSA46.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.52
LogP ≤ 56.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-(3-phenyl-2H-imidazol-1-yl)phenoxy]-9-pyridin-2-ylcarbazole
CID 160515373
2-[[5-(3-phenyl-2H-imidazol-1-yl)-3-pyridinyl]oxy]-9-pyrimidin-2-ylcarbazole
CID 161093369
2-[3-[3-(3,5-ditert-butylphenyl)-2H-imidazol-1-yl]phenoxy]-9-pyridin-2-ylcarbazole
CID 155651623
2-[3-[4-(4-methylphenyl)-3H-1,2,4-triazol-2-yl]phenoxy]-9-pyridin-2-ylcarbazole
CID 159315592
2-(3-pyrazol-1-ylphenoxy)-9-pyridin-2-ylcarbazole
CID 140794986
2-[3-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]-1,3-oxazole
CID 141495117
22-[3-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]-20,22-diazahexacyclo[18.6.1.02,7.08,13.014,19.023,27]heptacosa-1(27),2,4,6,8,10,12,14,16,18,23,25-dodecaene
CID 176821515
4,4,5,5-tetramethyl-2-phenyl-8-(9-pyridin-2-ylcarbazol-2-yl)oxy-1H-imidazo[1,5-a][1,4]benzazasiline
CID 155616688
2-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-9-pyridin-2-ylcarbazole
CID 160515375
3,6-diphenyl-11-(9-pyridin-2-ylcarbazol-2-yl)oxyimidazo[1,2-f]phenanthridine
CID 154611603
12,12,13,13-tetramethyl-5-(9-pyridin-2-ylcarbazol-2-yl)oxy-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(18),2(7),3,5,8,10,14,16-octaene
CID 172504692
6-(9-pyridin-2-ylcarbazol-2-yl)oxy-[1,2,4]triazolo[1,5-f]phenanthridine
CID 153411413

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(3H-imidazo[1,5-a]pyridin-2-yl)-3-pyridinyl]oxy]-9-pyridin-2-ylcarbazole?
The IUPAC name of 2-[[5-(3H-imidazo[1,5-a]pyridin-2-yl)-3-pyridinyl]oxy]-9-pyridin-2-ylcarbazole (CID 153428419) is 2-[[5-(3H-imidazo[1,5-a]pyridin-2-yl)-3-pyridinyl]oxy]-9-pyridin-2-ylcarbazole.
What is the SMILES notation for 2-[[5-(3H-imidazo[1,5-a]pyridin-2-yl)-3-pyridinyl]oxy]-9-pyridin-2-ylcarbazole?
The canonical SMILES for 2-[[5-(3H-imidazo[1,5-a]pyridin-2-yl)-3-pyridinyl]oxy]-9-pyridin-2-ylcarbazole is C1=CC2=CN(c3cncc(Oc4ccc5c6ccccc6n(-c6ccccn6)c5c4)c3)CN2C=C1.
What is the InChIKey of 2-[[5-(3H-imidazo[1,5-a]pyridin-2-yl)-3-pyridinyl]oxy]-9-pyridin-2-ylcarbazole?
The InChIKey is FZSOKGAMAWNNCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H21N5O/c1-2-9-27-25(8-1)26-12-11-23(16-28(26)34(27)29-10-3-5-13-31-29)35-24-15-22(17-30-18-24)33-19-21-7-4-6-14-32(21)20-33/h1-19H,20H2.
What are the key properties of 2-[[5-(3H-imidazo[1,5-a]pyridin-2-yl)-3-pyridinyl]oxy]-9-pyridin-2-ylcarbazole?
2-[[5-(3H-imidazo[1,5-a]pyridin-2-yl)-3-pyridinyl]oxy]-9-pyridin-2-ylcarbazole has a molecular weight of 455.52 g/mol, XLogP of 6.37, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(3H-imidazo[1,5-a]pyridin-2-yl)-3-pyridinyl]oxy]-9-pyridin-2-ylcarbazole is sourced from PubChem (CID 153428419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).