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

C47H35FN4O3 — CID 153414168

IUPAC9-(4-fluoro-2-pyridinyl)-2-[3-[4-[4-methyl-2,6-bis(phenylmethoxy)phenyl]pyrazol-1-yl]phenoxy]carbazole
SMILESCc1cc(OCc2ccccc2)c(-c2cnn(-c3cccc(Oc4ccc5c6ccccc6n(-c6cc(F)ccn6)c5c4)c3)c2)c(OCc2ccccc2)c1
InChIInChI=1S/C47H35FN4O3/c1-32-23-44(53-30-33-11-4-2-5-12-33)47(45(24-32)54-31-34-13-6-3-7-14-34)35-28-50-51(29-35)37-15-10-16-38(26-37)55-39-19-20-41-40-17-8-9-18-42(40)52(43(41)27-39)46-25-36(48)21-22-49-46/h2-29H,30-31H2,1H3
InChIKeyQYVLIZSMGWMEIB-UHFFFAOYSA-N
MW722.82 g/mol
LogP11.43
Rot. Bonds11

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

9-(4-fluoro-2-pyridinyl)-2-[3-[4-[4-methyl-2,6-bis(phenylmethoxy)phenyl]pyrazol-1-yl]phenoxy]carbazole (PubChem CID 153414168) has the molecular formula C47H35FN4O3 and a molecular weight of 722.82 g/mol. Its IUPAC name is 9-(4-fluoro-2-pyridinyl)-2-[3-[4-[4-methyl-2,6-bis(phenylmethoxy)phenyl]pyrazol-1-yl]phenoxy]carbazole.

Molecular Properties

Compound Name9-(4-fluoro-2-pyridinyl)-2-[3-[4-[4-methyl-2,6-bis(phenylmethoxy)phenyl]pyrazol-1-yl]phenoxy]carbazole
PubChem CID153414168
Molecular FormulaC47H35FN4O3
Molecular Weight722.82 g/mol
Exact Mass722.27
IUPAC Name9-(4-fluoro-2-pyridinyl)-2-[3-[4-[4-methyl-2,6-bis(phenylmethoxy)phenyl]pyrazol-1-yl]phenoxy]carbazole
SMILESCc1cc(OCc2ccccc2)c(-c2cnn(-c3cccc(Oc4ccc5c6ccccc6n(-c6cc(F)ccn6)c5c4)c3)c2)c(OCc2ccccc2)c1
InChIInChI=1S/C47H35FN4O3/c1-32-23-44(53-30-33-11-4-2-5-12-33)47(45(24-32)54-31-34-13-6-3-7-14-34)35-28-50-51(29-35)37-15-10-16-38(26-37)55-39-19-20-41-40-17-8-9-18-42(40)52(43(41)27-39)46-25-36(48)21-22-49-46/h2-29H,30-31H2,1H3
InChIKeyQYVLIZSMGWMEIB-UHFFFAOYSA-N
XLogP11.43
TPSA63.33 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500722.82
LogP ≤ 511.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-(1-Methylindol-6-yl)-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine
CID 162647138
2-(1-Methylindol-3-yl)-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine
CID 162653003
9-Ethyl-2-[7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbazole
CID 162661365
US10954240, Example 42
CID 118930246
US10954240, Example 43
CID 118930247
US12011444, Example 309
CID 135333257
US12011444, Example 308
CID 156760060
US12011444, Example 457
CID 156760102
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
[1-[(3-Fluorophenyl)methyl]indol-5-yl]-[7-methoxy-5-(1-methylpiperidin-4-yl)oxyquinazolin-4-yl]diazene
CID 69779414
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

Frequently Asked Questions

What is the IUPAC name of 9-(4-fluoro-2-pyridinyl)-2-[3-[4-[4-methyl-2,6-bis(phenylmethoxy)phenyl]pyrazol-1-yl]phenoxy]carbazole?
The IUPAC name of 9-(4-fluoro-2-pyridinyl)-2-[3-[4-[4-methyl-2,6-bis(phenylmethoxy)phenyl]pyrazol-1-yl]phenoxy]carbazole (CID 153414168) is 9-(4-fluoro-2-pyridinyl)-2-[3-[4-[4-methyl-2,6-bis(phenylmethoxy)phenyl]pyrazol-1-yl]phenoxy]carbazole.
What is the SMILES notation for 9-(4-fluoro-2-pyridinyl)-2-[3-[4-[4-methyl-2,6-bis(phenylmethoxy)phenyl]pyrazol-1-yl]phenoxy]carbazole?
The canonical SMILES for 9-(4-fluoro-2-pyridinyl)-2-[3-[4-[4-methyl-2,6-bis(phenylmethoxy)phenyl]pyrazol-1-yl]phenoxy]carbazole is Cc1cc(OCc2ccccc2)c(-c2cnn(-c3cccc(Oc4ccc5c6ccccc6n(-c6cc(F)ccn6)c5c4)c3)c2)c(OCc2ccccc2)c1.
What is the InChIKey of 9-(4-fluoro-2-pyridinyl)-2-[3-[4-[4-methyl-2,6-bis(phenylmethoxy)phenyl]pyrazol-1-yl]phenoxy]carbazole?
The InChIKey is QYVLIZSMGWMEIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H35FN4O3/c1-32-23-44(53-30-33-11-4-2-5-12-33)47(45(24-32)54-31-34-13-6-3-7-14-34)35-28-50-51(29-35)37-15-10-16-38(26-37)55-39-19-20-41-40-17-8-9-18-42(40)52(43(41)27-39)46-25-36(48)21-22-49-46/h2-29H,30-31H2,1H3.
What are the key properties of 9-(4-fluoro-2-pyridinyl)-2-[3-[4-[4-methyl-2,6-bis(phenylmethoxy)phenyl]pyrazol-1-yl]phenoxy]carbazole?
9-(4-fluoro-2-pyridinyl)-2-[3-[4-[4-methyl-2,6-bis(phenylmethoxy)phenyl]pyrazol-1-yl]phenoxy]carbazole has a molecular weight of 722.82 g/mol, XLogP of 11.43, 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-[4-methyl-2,6-bis(phenylmethoxy)phenyl]pyrazol-1-yl]phenoxy]carbazole is sourced from PubChem (CID 153414168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).