9-(4-fluoro-2-pyridinyl)-2-[3-[4-[3,4,5-trimethyl-2,6-bis(phenylmethoxy)phenyl]pyrazol-1-yl]phenoxy]carbazole

C49H39FN4O3 — CID 153414624

IUPAC9-(4-fluoro-2-pyridinyl)-2-[3-[4-[3,4,5-trimethyl-2,6-bis(phenylmethoxy)phenyl]pyrazol-1-yl]phenoxy]carbazole
SMILESCc1c(C)c(OCc2ccccc2)c(-c2cnn(-c3cccc(Oc4ccc5c6ccccc6n(-c6cc(F)ccn6)c5c4)c3)c2)c(OCc2ccccc2)c1C
InChIInChI=1S/C49H39FN4O3/c1-32-33(2)48(55-30-35-13-6-4-7-14-35)47(49(34(32)3)56-31-36-15-8-5-9-16-36)37-28-52-53(29-37)39-17-12-18-40(26-39)57-41-21-22-43-42-19-10-11-20-44(42)54(45(43)27-41)46-25-38(50)23-24-51-46/h4-29H,30-31H2,1-3H3
InChIKeyUHVHXGQGWFBPOY-UHFFFAOYSA-N
MW750.87 g/mol
LogP12.05
Rot. Bonds11

About 9-(4-fluoro-2-pyridinyl)-2-[3-[4-[3,4,5-trimethyl-2,6-bis(phenylmethoxy)phenyl]pyrazol-1-yl]phenoxy]carbazole

9-(4-fluoro-2-pyridinyl)-2-[3-[4-[3,4,5-trimethyl-2,6-bis(phenylmethoxy)phenyl]pyrazol-1-yl]phenoxy]carbazole (PubChem CID 153414624) has the molecular formula C49H39FN4O3 and a molecular weight of 750.87 g/mol. Its IUPAC name is 9-(4-fluoro-2-pyridinyl)-2-[3-[4-[3,4,5-trimethyl-2,6-bis(phenylmethoxy)phenyl]pyrazol-1-yl]phenoxy]carbazole.

Molecular Properties

Compound Name9-(4-fluoro-2-pyridinyl)-2-[3-[4-[3,4,5-trimethyl-2,6-bis(phenylmethoxy)phenyl]pyrazol-1-yl]phenoxy]carbazole
PubChem CID153414624
Molecular FormulaC49H39FN4O3
Molecular Weight750.87 g/mol
Exact Mass750.30
IUPAC Name9-(4-fluoro-2-pyridinyl)-2-[3-[4-[3,4,5-trimethyl-2,6-bis(phenylmethoxy)phenyl]pyrazol-1-yl]phenoxy]carbazole
SMILESCc1c(C)c(OCc2ccccc2)c(-c2cnn(-c3cccc(Oc4ccc5c6ccccc6n(-c6cc(F)ccn6)c5c4)c3)c2)c(OCc2ccccc2)c1C
InChIInChI=1S/C49H39FN4O3/c1-32-33(2)48(55-30-35-13-6-4-7-14-35)47(49(34(32)3)56-31-36-15-8-5-9-16-36)37-28-52-53(29-37)39-17-12-18-40(26-39)57-41-21-22-43-42-19-10-11-20-44(42)54(45(43)27-41)46-25-38(50)23-24-51-46/h4-29H,30-31H2,1-3H3
InChIKeyUHVHXGQGWFBPOY-UHFFFAOYSA-N
XLogP12.05
TPSA63.33 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500750.87
LogP ≤ 512.05
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-[2-(3,3-difluoropyrrolidin-1-yl)-4-pyridinyl]-5-propan-2-yloxy-1H-isoindole;3-[2-(3,3-difluoropyrrolidin-1-yl)-4-pyridinyl]-5-propan-2-yloxy-1-tritylindazole
CID 157510820
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
N-(5-fluoroquinolin-6-yl)-5-[(2R)-1-[(4-methoxyphenyl)-diphenylmethoxy]propan-2-yl]oxy-7-(1-methylpyrazol-4-yl)quinazolin-4-amine
CID 165120456
3-(1-Benzylimidazol-2-yl)-6-(2-ethyl-5-fluoro-4-phenylmethoxyphenyl)-7-fluoro-1-(oxan-2-yl)indazole
CID 171053766
9-(4-Fluoro-2-pyridinyl)-2-[3-(4-phenylpyrazol-1-yl)phenoxy]carbazole
CID 86343413

Frequently Asked Questions

What is the IUPAC name of 9-(4-fluoro-2-pyridinyl)-2-[3-[4-[3,4,5-trimethyl-2,6-bis(phenylmethoxy)phenyl]pyrazol-1-yl]phenoxy]carbazole?
The IUPAC name of 9-(4-fluoro-2-pyridinyl)-2-[3-[4-[3,4,5-trimethyl-2,6-bis(phenylmethoxy)phenyl]pyrazol-1-yl]phenoxy]carbazole (CID 153414624) is 9-(4-fluoro-2-pyridinyl)-2-[3-[4-[3,4,5-trimethyl-2,6-bis(phenylmethoxy)phenyl]pyrazol-1-yl]phenoxy]carbazole.
What is the SMILES notation for 9-(4-fluoro-2-pyridinyl)-2-[3-[4-[3,4,5-trimethyl-2,6-bis(phenylmethoxy)phenyl]pyrazol-1-yl]phenoxy]carbazole?
The canonical SMILES for 9-(4-fluoro-2-pyridinyl)-2-[3-[4-[3,4,5-trimethyl-2,6-bis(phenylmethoxy)phenyl]pyrazol-1-yl]phenoxy]carbazole is Cc1c(C)c(OCc2ccccc2)c(-c2cnn(-c3cccc(Oc4ccc5c6ccccc6n(-c6cc(F)ccn6)c5c4)c3)c2)c(OCc2ccccc2)c1C.
What is the InChIKey of 9-(4-fluoro-2-pyridinyl)-2-[3-[4-[3,4,5-trimethyl-2,6-bis(phenylmethoxy)phenyl]pyrazol-1-yl]phenoxy]carbazole?
The InChIKey is UHVHXGQGWFBPOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H39FN4O3/c1-32-33(2)48(55-30-35-13-6-4-7-14-35)47(49(34(32)3)56-31-36-15-8-5-9-16-36)37-28-52-53(29-37)39-17-12-18-40(26-39)57-41-21-22-43-42-19-10-11-20-44(42)54(45(43)27-41)46-25-38(50)23-24-51-46/h4-29H,30-31H2,1-3H3.
What are the key properties of 9-(4-fluoro-2-pyridinyl)-2-[3-[4-[3,4,5-trimethyl-2,6-bis(phenylmethoxy)phenyl]pyrazol-1-yl]phenoxy]carbazole?
9-(4-fluoro-2-pyridinyl)-2-[3-[4-[3,4,5-trimethyl-2,6-bis(phenylmethoxy)phenyl]pyrazol-1-yl]phenoxy]carbazole has a molecular weight of 750.87 g/mol, XLogP of 12.05, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-fluoro-2-pyridinyl)-2-[3-[4-[3,4,5-trimethyl-2,6-bis(phenylmethoxy)phenyl]pyrazol-1-yl]phenoxy]carbazole is sourced from PubChem (CID 153414624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).