2-[3-[4-(2,6-dimethoxy-3,4,5-trimethylphenyl)pyrazol-1-yl]-5-fluorophenoxy]-9-(4-methyl-2-pyridinyl)carbazole

C38H33FN4O3 — CID 153413911

IUPAC2-[3-[4-(2,6-dimethoxy-3,4,5-trimethylphenyl)pyrazol-1-yl]-5-fluorophenoxy]-9-(4-methyl-2-pyridinyl)carbazole
SMILESCOc1c(C)c(C)c(C)c(OC)c1-c1cnn(-c2cc(F)cc(Oc3ccc4c5ccccc5n(-c5cc(C)ccn5)c4c3)c2)c1
InChIInChI=1S/C38H33FN4O3/c1-22-13-14-40-35(15-22)43-33-10-8-7-9-31(33)32-12-11-29(19-34(32)43)46-30-17-27(39)16-28(18-30)42-21-26(20-41-42)36-37(44-5)24(3)23(2)25(4)38(36)45-6/h7-21H,1-6H3
InChIKeyLPPWXYOMUGVNJA-UHFFFAOYSA-N
MW612.71 g/mol
LogP9.21
Rot. Bonds7

About 2-[3-[4-(2,6-dimethoxy-3,4,5-trimethylphenyl)pyrazol-1-yl]-5-fluorophenoxy]-9-(4-methyl-2-pyridinyl)carbazole

2-[3-[4-(2,6-dimethoxy-3,4,5-trimethylphenyl)pyrazol-1-yl]-5-fluorophenoxy]-9-(4-methyl-2-pyridinyl)carbazole (PubChem CID 153413911) has the molecular formula C38H33FN4O3 and a molecular weight of 612.71 g/mol. Its IUPAC name is 2-[3-[4-(2,6-dimethoxy-3,4,5-trimethylphenyl)pyrazol-1-yl]-5-fluorophenoxy]-9-(4-methyl-2-pyridinyl)carbazole.

Molecular Properties

Compound Name2-[3-[4-(2,6-dimethoxy-3,4,5-trimethylphenyl)pyrazol-1-yl]-5-fluorophenoxy]-9-(4-methyl-2-pyridinyl)carbazole
PubChem CID153413911
Molecular FormulaC38H33FN4O3
Molecular Weight612.71 g/mol
Exact Mass612.25
IUPAC Name2-[3-[4-(2,6-dimethoxy-3,4,5-trimethylphenyl)pyrazol-1-yl]-5-fluorophenoxy]-9-(4-methyl-2-pyridinyl)carbazole
SMILESCOc1c(C)c(C)c(C)c(OC)c1-c1cnn(-c2cc(F)cc(Oc3ccc4c5ccccc5n(-c5cc(C)ccn5)c4c3)c2)c1
InChIInChI=1S/C38H33FN4O3/c1-22-13-14-40-35(15-22)43-33-10-8-7-9-31(33)32-12-11-29(19-34(32)43)46-30-17-27(39)16-28(18-30)42-21-26(20-41-42)36-37(44-5)24(3)23(2)25(4)38(36)45-6/h7-21H,1-6H3
InChIKeyLPPWXYOMUGVNJA-UHFFFAOYSA-N
XLogP9.21
TPSA63.33 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500612.71
LogP ≤ 59.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

9-Ethyl-2-[7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbazole
CID 162661365
8-[[3-Fluoro-5-(4-methoxy-2,3-dihydrochromen-4-yl)phenyl]methoxy]-5-imidazol-1-yl-[1,2,4]triazolo[4,3-a]quinazoline
CID 68346181
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
2-[4-[8-fluoro-5-methyl-7-[(2-methylpropan-2-yl)oxy]-3,4-dihydro-2H-chromen-6-yl]-1,6-dimethyl-2-[2-(1-methylindazol-6-yl)-4-pyridinyl]pyrrolo[2,3-b]pyridin-5-yl]acetic acid
CID 123526714
2-[7-fluoro-1-[(4-methoxyphenyl)methyl]-4-phenylmethoxyindol-3-yl]-4-(6-fluoro-4-methoxy-1-pyrimidin-2-ylindol-3-yl)-1-N,1-N,3-N,3-N-tetramethylbutane-1,3-diamine
CID 123675901
3-[5-[(2,4-Dimethoxyphenyl)methylamino]-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl]-1-(1-ethylpyrazol-4-yl)cyclohexan-1-ol
CID 146650700
N-[(2,4-dimethoxyphenyl)methyl]-1-[5-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-3-pyridinyl]ethanamine;1-[5-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-3-pyridinyl]ethanamine
CID 161131921
2-[3-(3,5-Dimethylpyrazol-1-yl)phenoxy]-9-[4-(trifluoromethyl)pyridin-2-yl]carbazole;platinum
CID 162196540
2-[7-[8-fluoro-5-methyl-7-[(2-methylpropan-2-yl)oxy]-3,4-dihydro-2H-chromen-6-yl]-3,5-dimethyl-2-[3-(1-methylindazol-5-yl)phenyl]pyrazolo[1,5-a]pyrimidin-6-yl]acetic acid
CID 163970131
7-Ethyl-4-[4-fluoro-3-(6-methoxy-2-phenylindazol-5-yl)phenyl]imidazo[4,5-c]pyridazine
CID 170334771
3-(1-Benzylimidazol-2-yl)-6-(2-ethyl-5-fluoro-4-phenylmethoxyphenyl)-7-fluoro-1-(oxan-2-yl)indazole
CID 171053766

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-(2,6-dimethoxy-3,4,5-trimethylphenyl)pyrazol-1-yl]-5-fluorophenoxy]-9-(4-methyl-2-pyridinyl)carbazole?
The IUPAC name of 2-[3-[4-(2,6-dimethoxy-3,4,5-trimethylphenyl)pyrazol-1-yl]-5-fluorophenoxy]-9-(4-methyl-2-pyridinyl)carbazole (CID 153413911) is 2-[3-[4-(2,6-dimethoxy-3,4,5-trimethylphenyl)pyrazol-1-yl]-5-fluorophenoxy]-9-(4-methyl-2-pyridinyl)carbazole.
What is the SMILES notation for 2-[3-[4-(2,6-dimethoxy-3,4,5-trimethylphenyl)pyrazol-1-yl]-5-fluorophenoxy]-9-(4-methyl-2-pyridinyl)carbazole?
The canonical SMILES for 2-[3-[4-(2,6-dimethoxy-3,4,5-trimethylphenyl)pyrazol-1-yl]-5-fluorophenoxy]-9-(4-methyl-2-pyridinyl)carbazole is COc1c(C)c(C)c(C)c(OC)c1-c1cnn(-c2cc(F)cc(Oc3ccc4c5ccccc5n(-c5cc(C)ccn5)c4c3)c2)c1.
What is the InChIKey of 2-[3-[4-(2,6-dimethoxy-3,4,5-trimethylphenyl)pyrazol-1-yl]-5-fluorophenoxy]-9-(4-methyl-2-pyridinyl)carbazole?
The InChIKey is LPPWXYOMUGVNJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H33FN4O3/c1-22-13-14-40-35(15-22)43-33-10-8-7-9-31(33)32-12-11-29(19-34(32)43)46-30-17-27(39)16-28(18-30)42-21-26(20-41-42)36-37(44-5)24(3)23(2)25(4)38(36)45-6/h7-21H,1-6H3.
What are the key properties of 2-[3-[4-(2,6-dimethoxy-3,4,5-trimethylphenyl)pyrazol-1-yl]-5-fluorophenoxy]-9-(4-methyl-2-pyridinyl)carbazole?
2-[3-[4-(2,6-dimethoxy-3,4,5-trimethylphenyl)pyrazol-1-yl]-5-fluorophenoxy]-9-(4-methyl-2-pyridinyl)carbazole has a molecular weight of 612.71 g/mol, XLogP of 9.21, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-(2,6-dimethoxy-3,4,5-trimethylphenyl)pyrazol-1-yl]-5-fluorophenoxy]-9-(4-methyl-2-pyridinyl)carbazole is sourced from PubChem (CID 153413911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).