2-[[2-chloro-6-[3-(2,3,4-trimethylphenyl)pyrazol-1-yl]-4-pyridinyl]oxy]-9-pyridin-2-ylcarbazole

C34H26ClN5O — CID 155675528

IUPAC2-[[2-chloro-6-[3-(2,3,4-trimethylphenyl)pyrazol-1-yl]-4-pyridinyl]oxy]-9-pyridin-2-ylcarbazole
SMILESCc1ccc(-c2ccn(-c3cc(Oc4ccc5c6ccccc6n(-c6ccccn6)c5c4)cc(Cl)n3)n2)c(C)c1C
InChIInChI=1S/C34H26ClN5O/c1-21-11-13-26(23(3)22(21)2)29-15-17-39(38-29)34-20-25(19-32(35)37-34)41-24-12-14-28-27-8-4-5-9-30(27)40(31(28)18-24)33-10-6-7-16-36-33/h4-20H,1-3H3
InChIKeySJFRVJDCPQFHFE-UHFFFAOYSA-N
MW556.07 g/mol
LogP8.80
Rot. Bonds5

About 2-[[2-chloro-6-[3-(2,3,4-trimethylphenyl)pyrazol-1-yl]-4-pyridinyl]oxy]-9-pyridin-2-ylcarbazole

2-[[2-chloro-6-[3-(2,3,4-trimethylphenyl)pyrazol-1-yl]-4-pyridinyl]oxy]-9-pyridin-2-ylcarbazole (PubChem CID 155675528) has the molecular formula C34H26ClN5O and a molecular weight of 556.07 g/mol. Its IUPAC name is 2-[[2-chloro-6-[3-(2,3,4-trimethylphenyl)pyrazol-1-yl]-4-pyridinyl]oxy]-9-pyridin-2-ylcarbazole.

Molecular Properties

Compound Name2-[[2-chloro-6-[3-(2,3,4-trimethylphenyl)pyrazol-1-yl]-4-pyridinyl]oxy]-9-pyridin-2-ylcarbazole
PubChem CID155675528
Molecular FormulaC34H26ClN5O
Molecular Weight556.07 g/mol
Exact Mass555.18
IUPAC Name2-[[2-chloro-6-[3-(2,3,4-trimethylphenyl)pyrazol-1-yl]-4-pyridinyl]oxy]-9-pyridin-2-ylcarbazole
SMILESCc1ccc(-c2ccn(-c3cc(Oc4ccc5c6ccccc6n(-c6ccccn6)c5c4)cc(Cl)n3)n2)c(C)c1C
InChIInChI=1S/C34H26ClN5O/c1-21-11-13-26(23(3)22(21)2)29-15-17-39(38-29)34-20-25(19-32(35)37-34)41-24-12-14-28-27-8-4-5-9-30(27)40(31(28)18-24)33-10-6-7-16-36-33/h4-20H,1-3H3
InChIKeySJFRVJDCPQFHFE-UHFFFAOYSA-N
XLogP8.80
TPSA57.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.07
LogP ≤ 58.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-[5-[1-[(4-chlorophenyl)methyl]-3-[3-[(2S)-2-methylpyrrolidin-1-yl]propoxy]indazol-5-yl]-2-pyridinyl]morpholine
CID 46898659
6-Methoxy-1-[1-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]piperidin-4-yl]indole
CID 121224994
5-(3,5-dichloro-2-pyridinyl)-3-(2,5-difluoro-4-methoxyphenyl)-2-(2,6-dimethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 139296284
US10954240, Example 24
CID 118930222
US10954240, Example 37
CID 118930227
US10954240, Example 38
CID 118930239
2-Chloro-4-methoxy-14-phenyl-9,13,14,16-tetrazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(17),2,4,6,8,10,12,15-octaene
CID 71593637
2-(3-(3,5-dimethyl-1H-pyrazol-1-yl)phenoxy)-9-(4-fluoropyridin-2-yl)-9H-carbazole
CID 86343982
2-(3-(3,5-dimethyl-1H-pyrazol-1-yl)phenoxy)-9-(4-(trifluoromethyl)pyridin-2-yl)-9H-carbazole
CID 86344155
3-(5-Fluoro-6-phenoxyindol-1-yl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 118026083
4-[3-[[8-Chloro-11-fluoro-16-(1,1,1-trifluoropropan-2-yl)-2,3,5,7,16-pentazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,7,10(15),11,13-heptaen-13-yl]oxy]propyl]morpholine
CID 144592532
3-(6-Cyclohexa-1,3-dien-1-yloxy-5-fluoroindol-1-yl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 144832316

Frequently Asked Questions

What is the IUPAC name of 2-[[2-chloro-6-[3-(2,3,4-trimethylphenyl)pyrazol-1-yl]-4-pyridinyl]oxy]-9-pyridin-2-ylcarbazole?
The IUPAC name of 2-[[2-chloro-6-[3-(2,3,4-trimethylphenyl)pyrazol-1-yl]-4-pyridinyl]oxy]-9-pyridin-2-ylcarbazole (CID 155675528) is 2-[[2-chloro-6-[3-(2,3,4-trimethylphenyl)pyrazol-1-yl]-4-pyridinyl]oxy]-9-pyridin-2-ylcarbazole.
What is the SMILES notation for 2-[[2-chloro-6-[3-(2,3,4-trimethylphenyl)pyrazol-1-yl]-4-pyridinyl]oxy]-9-pyridin-2-ylcarbazole?
The canonical SMILES for 2-[[2-chloro-6-[3-(2,3,4-trimethylphenyl)pyrazol-1-yl]-4-pyridinyl]oxy]-9-pyridin-2-ylcarbazole is Cc1ccc(-c2ccn(-c3cc(Oc4ccc5c6ccccc6n(-c6ccccn6)c5c4)cc(Cl)n3)n2)c(C)c1C.
What is the InChIKey of 2-[[2-chloro-6-[3-(2,3,4-trimethylphenyl)pyrazol-1-yl]-4-pyridinyl]oxy]-9-pyridin-2-ylcarbazole?
The InChIKey is SJFRVJDCPQFHFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H26ClN5O/c1-21-11-13-26(23(3)22(21)2)29-15-17-39(38-29)34-20-25(19-32(35)37-34)41-24-12-14-28-27-8-4-5-9-30(27)40(31(28)18-24)33-10-6-7-16-36-33/h4-20H,1-3H3.
What are the key properties of 2-[[2-chloro-6-[3-(2,3,4-trimethylphenyl)pyrazol-1-yl]-4-pyridinyl]oxy]-9-pyridin-2-ylcarbazole?
2-[[2-chloro-6-[3-(2,3,4-trimethylphenyl)pyrazol-1-yl]-4-pyridinyl]oxy]-9-pyridin-2-ylcarbazole has a molecular weight of 556.07 g/mol, XLogP of 8.80, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-chloro-6-[3-(2,3,4-trimethylphenyl)pyrazol-1-yl]-4-pyridinyl]oxy]-9-pyridin-2-ylcarbazole is sourced from PubChem (CID 155675528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).