2-[3-(9-pyridin-2-ylcarbazol-2-yl)-2H-imidazo[4,5-b]pyridin-1-yl]phenol

C29H21N5O — CID 140679502

IUPAC2-[3-(9-pyridin-2-ylcarbazol-2-yl)-2H-imidazo[4,5-b]pyridin-1-yl]phenol
SMILESOc1ccccc1N1CN(c2ccc3c4ccccc4n(-c4ccccn4)c3c2)c2ncccc21
InChIInChI=1S/C29H21N5O/c35-27-12-4-3-10-24(27)33-19-32(29-25(33)11-7-17-31-29)20-14-15-22-21-8-1-2-9-23(21)34(26(22)18-20)28-13-5-6-16-30-28/h1-18,35H,19H2
InChIKeyDESYXDAYMJDHRN-UHFFFAOYSA-N
MW455.52 g/mol
LogP6.53
Rot. Bonds3

About 2-[3-(9-pyridin-2-ylcarbazol-2-yl)-2H-imidazo[4,5-b]pyridin-1-yl]phenol

2-[3-(9-pyridin-2-ylcarbazol-2-yl)-2H-imidazo[4,5-b]pyridin-1-yl]phenol (PubChem CID 140679502) has the molecular formula C29H21N5O and a molecular weight of 455.52 g/mol. Its IUPAC name is 2-[3-(9-pyridin-2-ylcarbazol-2-yl)-2H-imidazo[4,5-b]pyridin-1-yl]phenol.

Molecular Properties

Compound Name2-[3-(9-pyridin-2-ylcarbazol-2-yl)-2H-imidazo[4,5-b]pyridin-1-yl]phenol
PubChem CID140679502
Molecular FormulaC29H21N5O
Molecular Weight455.52 g/mol
Exact Mass455.17
IUPAC Name2-[3-(9-pyridin-2-ylcarbazol-2-yl)-2H-imidazo[4,5-b]pyridin-1-yl]phenol
SMILESOc1ccccc1N1CN(c2ccc3c4ccccc4n(-c4ccccn4)c3c2)c2ncccc21
InChIInChI=1S/C29H21N5O/c35-27-12-4-3-10-24(27)33-19-32(29-25(33)11-7-17-31-29)20-14-15-22-21-8-1-2-9-23(21)34(26(22)18-20)28-13-5-6-16-30-28/h1-18,35H,19H2
InChIKeyDESYXDAYMJDHRN-UHFFFAOYSA-N
XLogP6.53
TPSA57.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.52
LogP ≤ 56.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

9-pyridin-2-yl-2-[3-[1-(2,4,6-trimethylphenyl)-2H-imidazo[4,5-b]pyridin-3-yl]phenoxy]carbazole
CID 140958316
9-(4-tert-butyl-2-pyridinyl)-2-[3-[1-(4-tert-butyl-2-pyridinyl)-2H-imidazo[4,5-b]pyridin-3-yl]phenoxy]carbazole
CID 176782573
11-(9-pyridin-2-ylcarbazol-2-yl)-2-(triazol-2-yl)-5,6-dihydrobenzo[b][1]benzazepine
CID 140683788
2-phenyl-9-(9-pyridin-2-ylcarbazol-2-yl)carbazole
CID 71478701
6-[3-[2,2-diphenyl-1-(9-pyridin-2-ylcarbazol-2-yl)ethenyl]phenyl]-4-phenyl-5H-imidazo[4,5-d][1,3]oxazole
CID 176871591
2-(4-carbazol-9-yl-3-methyl-2H-imidazol-1-yl)-9-(9-pyridin-2-ylcarbazol-2-yl)carbazole
CID 140729981
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
14-phenyl-4-(9-pyridin-2-ylcarbazol-2-yl)oxyspiro[1,14-diaza-8-germatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16)-hexaene-8,5'-benzo[b][1]benzogermole]
CID 155616684
2-pyridin-2-yl-11-(9-pyridin-2-ylcarbazol-2-yl)benzo[b][1]benzazepine
CID 90089781
2-[2,2-bis(3-methylimidazol-4-yl)-1-[3-(3-phenyl-2H-benzimidazol-1-yl)phenyl]ethenyl]-9-pyridin-2-ylcarbazole
CID 176871630
dimethyl-[3-(3-methyl-2H-benzimidazol-1-yl)phenyl]-(9-pyridin-2-ylcarbazol-2-yl)-λ4-sulfane
CID 171434230
9-pyridin-2-yl-N-(9-pyridin-2-ylcarbazol-2-yl)carbazol-2-amine
CID 137412781

Frequently Asked Questions

What is the IUPAC name of 2-[3-(9-pyridin-2-ylcarbazol-2-yl)-2H-imidazo[4,5-b]pyridin-1-yl]phenol?
The IUPAC name of 2-[3-(9-pyridin-2-ylcarbazol-2-yl)-2H-imidazo[4,5-b]pyridin-1-yl]phenol (CID 140679502) is 2-[3-(9-pyridin-2-ylcarbazol-2-yl)-2H-imidazo[4,5-b]pyridin-1-yl]phenol.
What is the SMILES notation for 2-[3-(9-pyridin-2-ylcarbazol-2-yl)-2H-imidazo[4,5-b]pyridin-1-yl]phenol?
The canonical SMILES for 2-[3-(9-pyridin-2-ylcarbazol-2-yl)-2H-imidazo[4,5-b]pyridin-1-yl]phenol is Oc1ccccc1N1CN(c2ccc3c4ccccc4n(-c4ccccn4)c3c2)c2ncccc21.
What is the InChIKey of 2-[3-(9-pyridin-2-ylcarbazol-2-yl)-2H-imidazo[4,5-b]pyridin-1-yl]phenol?
The InChIKey is DESYXDAYMJDHRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H21N5O/c35-27-12-4-3-10-24(27)33-19-32(29-25(33)11-7-17-31-29)20-14-15-22-21-8-1-2-9-23(21)34(26(22)18-20)28-13-5-6-16-30-28/h1-18,35H,19H2.
What are the key properties of 2-[3-(9-pyridin-2-ylcarbazol-2-yl)-2H-imidazo[4,5-b]pyridin-1-yl]phenol?
2-[3-(9-pyridin-2-ylcarbazol-2-yl)-2H-imidazo[4,5-b]pyridin-1-yl]phenol has a molecular weight of 455.52 g/mol, XLogP of 6.53, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(9-pyridin-2-ylcarbazol-2-yl)-2H-imidazo[4,5-b]pyridin-1-yl]phenol is sourced from PubChem (CID 140679502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).