5-benzyl-2-[6-(2-ethyl-5-fluoro-4-phenylmethoxyphenyl)-4-fluoro-1H-indazol-3-yl]imidazo[4,5-c]pyridine

C35H27F2N5O — CID 135367737

IUPAC5-benzyl-2-[6-(2-ethyl-5-fluoro-4-phenylmethoxyphenyl)-4-fluoro-1H-indazol-3-yl]imidazo[4,5-c]pyridine
SMILESCCc1cc(OCc2ccccc2)c(F)cc1-c1cc(F)c2c(-c3nc4ccn(Cc5ccccc5)cc-4n3)n[nH]c2c1
InChIInChI=1S/C35H27F2N5O/c1-2-24-17-32(43-21-23-11-7-4-8-12-23)27(36)18-26(24)25-15-28(37)33-30(16-25)40-41-34(33)35-38-29-13-14-42(20-31(29)39-35)19-22-9-5-3-6-10-22/h3-18,20H,2,19,21H2,1H3,(H,40,41)
InChIKeyAPKSHSMBDHOOAD-UHFFFAOYSA-N
MW571.63 g/mol
LogP8.06
Rot. Bonds8

About 5-benzyl-2-[6-(2-ethyl-5-fluoro-4-phenylmethoxyphenyl)-4-fluoro-1H-indazol-3-yl]imidazo[4,5-c]pyridine

5-benzyl-2-[6-(2-ethyl-5-fluoro-4-phenylmethoxyphenyl)-4-fluoro-1H-indazol-3-yl]imidazo[4,5-c]pyridine (PubChem CID 135367737) has the molecular formula C35H27F2N5O and a molecular weight of 571.63 g/mol. Its IUPAC name is 5-benzyl-2-[6-(2-ethyl-5-fluoro-4-phenylmethoxyphenyl)-4-fluoro-1H-indazol-3-yl]imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name5-benzyl-2-[6-(2-ethyl-5-fluoro-4-phenylmethoxyphenyl)-4-fluoro-1H-indazol-3-yl]imidazo[4,5-c]pyridine
PubChem CID135367737
Molecular FormulaC35H27F2N5O
Molecular Weight571.63 g/mol
Exact Mass571.22
IUPAC Name5-benzyl-2-[6-(2-ethyl-5-fluoro-4-phenylmethoxyphenyl)-4-fluoro-1H-indazol-3-yl]imidazo[4,5-c]pyridine
SMILESCCc1cc(OCc2ccccc2)c(F)cc1-c1cc(F)c2c(-c3nc4ccn(Cc5ccccc5)cc-4n3)n[nH]c2c1
InChIInChI=1S/C35H27F2N5O/c1-2-24-17-32(43-21-23-11-7-4-8-12-23)27(36)18-26(24)25-15-28(37)33-30(16-25)40-41-34(33)35-38-29-13-14-42(20-31(29)39-35)19-22-9-5-3-6-10-22/h3-18,20H,2,19,21H2,1H3,(H,40,41)
InChIKeyAPKSHSMBDHOOAD-UHFFFAOYSA-N
XLogP8.06
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500571.63
LogP ≤ 58.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 59473155
CID 59473273
CID 59473273
CID 118437234
CID 118437234
CID 135223478
CID 135223478
CID 135227299
CID 135227299
CID 135227324
CID 135227324
CID 135227351
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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-2-[6-(2-ethyl-5-fluoro-4-phenylmethoxyphenyl)-4-fluoro-1H-indazol-3-yl]imidazo[4,5-c]pyridine?
The IUPAC name of 5-benzyl-2-[6-(2-ethyl-5-fluoro-4-phenylmethoxyphenyl)-4-fluoro-1H-indazol-3-yl]imidazo[4,5-c]pyridine (CID 135367737) is 5-benzyl-2-[6-(2-ethyl-5-fluoro-4-phenylmethoxyphenyl)-4-fluoro-1H-indazol-3-yl]imidazo[4,5-c]pyridine.
What is the SMILES notation for 5-benzyl-2-[6-(2-ethyl-5-fluoro-4-phenylmethoxyphenyl)-4-fluoro-1H-indazol-3-yl]imidazo[4,5-c]pyridine?
The canonical SMILES for 5-benzyl-2-[6-(2-ethyl-5-fluoro-4-phenylmethoxyphenyl)-4-fluoro-1H-indazol-3-yl]imidazo[4,5-c]pyridine is CCc1cc(OCc2ccccc2)c(F)cc1-c1cc(F)c2c(-c3nc4ccn(Cc5ccccc5)cc-4n3)n[nH]c2c1.
What is the InChIKey of 5-benzyl-2-[6-(2-ethyl-5-fluoro-4-phenylmethoxyphenyl)-4-fluoro-1H-indazol-3-yl]imidazo[4,5-c]pyridine?
The InChIKey is APKSHSMBDHOOAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H27F2N5O/c1-2-24-17-32(43-21-23-11-7-4-8-12-23)27(36)18-26(24)25-15-28(37)33-30(16-25)40-41-34(33)35-38-29-13-14-42(20-31(29)39-35)19-22-9-5-3-6-10-22/h3-18,20H,2,19,21H2,1H3,(H,40,41).
What are the key properties of 5-benzyl-2-[6-(2-ethyl-5-fluoro-4-phenylmethoxyphenyl)-4-fluoro-1H-indazol-3-yl]imidazo[4,5-c]pyridine?
5-benzyl-2-[6-(2-ethyl-5-fluoro-4-phenylmethoxyphenyl)-4-fluoro-1H-indazol-3-yl]imidazo[4,5-c]pyridine has a molecular weight of 571.63 g/mol, XLogP of 8.06, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-2-[6-(2-ethyl-5-fluoro-4-phenylmethoxyphenyl)-4-fluoro-1H-indazol-3-yl]imidazo[4,5-c]pyridine is sourced from PubChem (CID 135367737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).