2-[[4-pyrazol-1-yl-3-(2,3,4-trimethylphenyl)-2-pyridinyl]oxy]-9-pyridin-2-ylcarbazole

C34H27N5O — CID 169096028

IUPAC2-[[4-pyrazol-1-yl-3-(2,3,4-trimethylphenyl)-2-pyridinyl]oxy]-9-pyridin-2-ylcarbazole
SMILESCc1ccc(-c2c(-n3cccn3)ccnc2Oc2ccc3c4ccccc4n(-c4ccccn4)c3c2)c(C)c1C
InChIInChI=1S/C34H27N5O/c1-22-12-14-26(24(3)23(22)2)33-30(38-20-8-18-37-38)16-19-36-34(33)40-25-13-15-28-27-9-4-5-10-29(27)39(31(28)21-25)32-11-6-7-17-35-32/h4-21H,1-3H3
InChIKeyIDQLMOVDDBWZPD-UHFFFAOYSA-N
MW521.62 g/mol
LogP8.14
Rot. Bonds5

About 2-[[4-pyrazol-1-yl-3-(2,3,4-trimethylphenyl)-2-pyridinyl]oxy]-9-pyridin-2-ylcarbazole

2-[[4-pyrazol-1-yl-3-(2,3,4-trimethylphenyl)-2-pyridinyl]oxy]-9-pyridin-2-ylcarbazole (PubChem CID 169096028) has the molecular formula C34H27N5O and a molecular weight of 521.62 g/mol. Its IUPAC name is 2-[[4-pyrazol-1-yl-3-(2,3,4-trimethylphenyl)-2-pyridinyl]oxy]-9-pyridin-2-ylcarbazole.

Molecular Properties

Compound Name2-[[4-pyrazol-1-yl-3-(2,3,4-trimethylphenyl)-2-pyridinyl]oxy]-9-pyridin-2-ylcarbazole
PubChem CID169096028
Molecular FormulaC34H27N5O
Molecular Weight521.62 g/mol
Exact Mass521.22
IUPAC Name2-[[4-pyrazol-1-yl-3-(2,3,4-trimethylphenyl)-2-pyridinyl]oxy]-9-pyridin-2-ylcarbazole
SMILESCc1ccc(-c2c(-n3cccn3)ccnc2Oc2ccc3c4ccccc4n(-c4ccccn4)c3c2)c(C)c1C
InChIInChI=1S/C34H27N5O/c1-22-12-14-26(24(3)23(22)2)33-30(38-20-8-18-37-38)16-19-36-34(33)40-25-13-15-28-27-9-4-5-10-29(27)39(31(28)21-25)32-11-6-7-17-35-32/h4-21H,1-3H3
InChIKeyIDQLMOVDDBWZPD-UHFFFAOYSA-N
XLogP8.14
TPSA57.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.62
LogP ≤ 58.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-pyrazol-1-ylphenoxy)-9-pyridin-2-ylcarbazole
CID 140794986
2-[5,10-bis(2,6-dimethylphenyl)-4-pyrazol-1-ylboranthren-2-yl]oxy-9-pyridin-2-ylcarbazole
CID 153276357
2-[(2-propan-2-yl-6-pyrazol-1-yl-4-pyridinyl)oxy]-9-pyridin-2-ylcarbazole
CID 155675531
6-(9-pyridin-2-ylcarbazol-2-yl)oxy-[1,2,4]triazolo[1,5-f]phenanthridine
CID 153411413
2-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-9-pyridin-2-ylcarbazole
CID 160515375
11-(2,6-dimethylphenyl)-4-(9-pyridin-2-ylcarbazol-2-yl)oxy-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15,17,19-decaene
CID 154611418
9-(9-pyridin-2-ylcarbazol-2-yl)oxy-2,5,17-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaene
CID 140948681
4-(9-pyridin-2-ylcarbazol-2-yl)oxy-12,14,21-triazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15,17,19-decaene
CID 140950405
11-(9-pyridin-2-ylcarbazol-2-yl)oxy-6-(2,4,6-trimethylphenyl)imidazo[1,2-f]phenanthridine
CID 154610805
4-(9-pyridin-2-ylcarbazol-2-yl)oxy-9,12,14,21-tetrazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene
CID 140949999
8-(2,6-dimethylphenyl)-3-methyl-11-(9-pyridin-2-ylcarbazol-2-yl)oxy-[1,2,4]triazolo[4,3-f]phenanthridine
CID 153411649
2-[3-(5,6-dimethyl-3-phenyl-2H-benzimidazol-1-yl)-5-methylphenoxy]-9-pyridin-2-ylcarbazole
CID 155606559

Frequently Asked Questions

What is the IUPAC name of 2-[[4-pyrazol-1-yl-3-(2,3,4-trimethylphenyl)-2-pyridinyl]oxy]-9-pyridin-2-ylcarbazole?
The IUPAC name of 2-[[4-pyrazol-1-yl-3-(2,3,4-trimethylphenyl)-2-pyridinyl]oxy]-9-pyridin-2-ylcarbazole (CID 169096028) is 2-[[4-pyrazol-1-yl-3-(2,3,4-trimethylphenyl)-2-pyridinyl]oxy]-9-pyridin-2-ylcarbazole.
What is the SMILES notation for 2-[[4-pyrazol-1-yl-3-(2,3,4-trimethylphenyl)-2-pyridinyl]oxy]-9-pyridin-2-ylcarbazole?
The canonical SMILES for 2-[[4-pyrazol-1-yl-3-(2,3,4-trimethylphenyl)-2-pyridinyl]oxy]-9-pyridin-2-ylcarbazole is Cc1ccc(-c2c(-n3cccn3)ccnc2Oc2ccc3c4ccccc4n(-c4ccccn4)c3c2)c(C)c1C.
What is the InChIKey of 2-[[4-pyrazol-1-yl-3-(2,3,4-trimethylphenyl)-2-pyridinyl]oxy]-9-pyridin-2-ylcarbazole?
The InChIKey is IDQLMOVDDBWZPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H27N5O/c1-22-12-14-26(24(3)23(22)2)33-30(38-20-8-18-37-38)16-19-36-34(33)40-25-13-15-28-27-9-4-5-10-29(27)39(31(28)21-25)32-11-6-7-17-35-32/h4-21H,1-3H3.
What are the key properties of 2-[[4-pyrazol-1-yl-3-(2,3,4-trimethylphenyl)-2-pyridinyl]oxy]-9-pyridin-2-ylcarbazole?
2-[[4-pyrazol-1-yl-3-(2,3,4-trimethylphenyl)-2-pyridinyl]oxy]-9-pyridin-2-ylcarbazole has a molecular weight of 521.62 g/mol, XLogP of 8.14, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-pyrazol-1-yl-3-(2,3,4-trimethylphenyl)-2-pyridinyl]oxy]-9-pyridin-2-ylcarbazole is sourced from PubChem (CID 169096028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).