2-[(2-propan-2-yl-6-pyrazol-1-yl-4-pyridinyl)oxy]-9-pyridin-2-ylcarbazole

C28H23N5O — CID 155675531

IUPAC2-[(2-propan-2-yl-6-pyrazol-1-yl-4-pyridinyl)oxy]-9-pyridin-2-ylcarbazole
SMILESCC(C)c1cc(Oc2ccc3c4ccccc4n(-c4ccccn4)c3c2)cc(-n2cccn2)n1
InChIInChI=1S/C28H23N5O/c1-19(2)24-16-21(18-28(31-24)32-15-7-14-30-32)34-20-11-12-23-22-8-3-4-9-25(22)33(26(23)17-20)27-10-5-6-13-29-27/h3-19H,1-2H3
InChIKeyODTPTULYWSGDFD-UHFFFAOYSA-N
MW445.53 g/mol
LogP6.68
Rot. Bonds5

About 2-[(2-propan-2-yl-6-pyrazol-1-yl-4-pyridinyl)oxy]-9-pyridin-2-ylcarbazole

2-[(2-propan-2-yl-6-pyrazol-1-yl-4-pyridinyl)oxy]-9-pyridin-2-ylcarbazole (PubChem CID 155675531) has the molecular formula C28H23N5O and a molecular weight of 445.53 g/mol. Its IUPAC name is 2-[(2-propan-2-yl-6-pyrazol-1-yl-4-pyridinyl)oxy]-9-pyridin-2-ylcarbazole.

Molecular Properties

Compound Name2-[(2-propan-2-yl-6-pyrazol-1-yl-4-pyridinyl)oxy]-9-pyridin-2-ylcarbazole
PubChem CID155675531
Molecular FormulaC28H23N5O
Molecular Weight445.53 g/mol
Exact Mass445.19
IUPAC Name2-[(2-propan-2-yl-6-pyrazol-1-yl-4-pyridinyl)oxy]-9-pyridin-2-ylcarbazole
SMILESCC(C)c1cc(Oc2ccc3c4ccccc4n(-c4ccccn4)c3c2)cc(-n2cccn2)n1
InChIInChI=1S/C28H23N5O/c1-19(2)24-16-21(18-28(31-24)32-15-7-14-30-32)34-20-11-12-23-22-8-3-4-9-25(22)33(26(23)17-20)27-10-5-6-13-29-27/h3-19H,1-2H3
InChIKeyODTPTULYWSGDFD-UHFFFAOYSA-N
XLogP6.68
TPSA57.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.53
LogP ≤ 56.68
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-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-9-pyridin-2-ylcarbazole
CID 160515375
2-[[4-pyrazol-1-yl-3-(2,3,4-trimethylphenyl)-2-pyridinyl]oxy]-9-pyridin-2-ylcarbazole
CID 169096028
6-(9-pyridin-2-ylcarbazol-2-yl)oxy-[1,2,4]triazolo[1,5-f]phenanthridine
CID 153411413
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
2,7-bis[(9-pyridin-2-ylcarbazol-2-yl)oxy]-9-[5-(1,1,1-trifluoropropan-2-yl)pyrimidin-2-yl]carbazole
CID 160821380
2-[3-(3-phenyl-2H-imidazol-1-yl)phenoxy]-9-pyridin-2-ylcarbazole
CID 160515373
2-(3-indazol-2-ylphenoxy)-9-pyridin-2-ylcarbazole
CID 140730409
9-pyridin-2-yl-2-(3-quinolin-2-ylphenoxy)carbazole
CID 161376299
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
5-[2,6-di(propan-2-yl)phenyl]-11-(9-pyridin-2-ylcarbazol-2-yl)oxyimidazo[1,2-f]phenanthridine
CID 154610498

Frequently Asked Questions

What is the IUPAC name of 2-[(2-propan-2-yl-6-pyrazol-1-yl-4-pyridinyl)oxy]-9-pyridin-2-ylcarbazole?
The IUPAC name of 2-[(2-propan-2-yl-6-pyrazol-1-yl-4-pyridinyl)oxy]-9-pyridin-2-ylcarbazole (CID 155675531) is 2-[(2-propan-2-yl-6-pyrazol-1-yl-4-pyridinyl)oxy]-9-pyridin-2-ylcarbazole.
What is the SMILES notation for 2-[(2-propan-2-yl-6-pyrazol-1-yl-4-pyridinyl)oxy]-9-pyridin-2-ylcarbazole?
The canonical SMILES for 2-[(2-propan-2-yl-6-pyrazol-1-yl-4-pyridinyl)oxy]-9-pyridin-2-ylcarbazole is CC(C)c1cc(Oc2ccc3c4ccccc4n(-c4ccccn4)c3c2)cc(-n2cccn2)n1.
What is the InChIKey of 2-[(2-propan-2-yl-6-pyrazol-1-yl-4-pyridinyl)oxy]-9-pyridin-2-ylcarbazole?
The InChIKey is ODTPTULYWSGDFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23N5O/c1-19(2)24-16-21(18-28(31-24)32-15-7-14-30-32)34-20-11-12-23-22-8-3-4-9-25(22)33(26(23)17-20)27-10-5-6-13-29-27/h3-19H,1-2H3.
What are the key properties of 2-[(2-propan-2-yl-6-pyrazol-1-yl-4-pyridinyl)oxy]-9-pyridin-2-ylcarbazole?
2-[(2-propan-2-yl-6-pyrazol-1-yl-4-pyridinyl)oxy]-9-pyridin-2-ylcarbazole has a molecular weight of 445.53 g/mol, XLogP of 6.68, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-propan-2-yl-6-pyrazol-1-yl-4-pyridinyl)oxy]-9-pyridin-2-ylcarbazole is sourced from PubChem (CID 155675531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).