2-[4-[(4-fluorophenyl)methoxy]phenyl]-N-[1-(2-pyrrolidin-1-ylethyl)indazol-6-yl]acetamide

C28H29FN4O2 — CID 11213617

IUPAC2-[4-[(4-fluorophenyl)methoxy]phenyl]-N-[1-(2-pyrrolidin-1-ylethyl)indazol-6-yl]acetamide
SMILESO=C(Cc1ccc(OCc2ccc(F)cc2)cc1)Nc1ccc2cnn(CCN3CCCC3)c2c1
InChIInChI=1S/C28H29FN4O2/c29-24-8-3-22(4-9-24)20-35-26-11-5-21(6-12-26)17-28(34)31-25-10-7-23-19-30-33(27(23)18-25)16-15-32-13-1-2-14-32/h3-12,18-19H,1-2,13-17,20H2,(H,31,34)
InChIKeyDKLAXRMFKZZMMV-UHFFFAOYSA-N
MW472.56 g/mol
LogP5.03
Rot. Bonds9

About 2-[4-[(4-fluorophenyl)methoxy]phenyl]-N-[1-(2-pyrrolidin-1-ylethyl)indazol-6-yl]acetamide

2-[4-[(4-fluorophenyl)methoxy]phenyl]-N-[1-(2-pyrrolidin-1-ylethyl)indazol-6-yl]acetamide (PubChem CID 11213617) has the molecular formula C28H29FN4O2 and a molecular weight of 472.56 g/mol. Its IUPAC name is 2-[4-[(4-fluorophenyl)methoxy]phenyl]-N-[1-(2-pyrrolidin-1-ylethyl)indazol-6-yl]acetamide.

Molecular Properties

Compound Name2-[4-[(4-fluorophenyl)methoxy]phenyl]-N-[1-(2-pyrrolidin-1-ylethyl)indazol-6-yl]acetamide
PubChem CID11213617
Molecular FormulaC28H29FN4O2
Molecular Weight472.56 g/mol
Exact Mass472.23
IUPAC Name2-[4-[(4-fluorophenyl)methoxy]phenyl]-N-[1-(2-pyrrolidin-1-ylethyl)indazol-6-yl]acetamide
SMILESO=C(Cc1ccc(OCc2ccc(F)cc2)cc1)Nc1ccc2cnn(CCN3CCCC3)c2c1
InChIInChI=1S/C28H29FN4O2/c29-24-8-3-22(4-9-24)20-35-26-11-5-21(6-12-26)17-28(34)31-25-10-7-23-19-30-33(27(23)18-25)16-15-32-13-1-2-14-32/h3-12,18-19H,1-2,13-17,20H2,(H,31,34)
InChIKeyDKLAXRMFKZZMMV-UHFFFAOYSA-N
XLogP5.03
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.56
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-phenylmethoxyphenyl)-N-[1-(2-pyrrolidin-1-ylethyl)indazol-6-yl]acetamide
CID 11775399
2-(4-hydroxyphenyl)-N-[1-(2-pyrrolidin-1-ylethyl)indazol-6-yl]acetamide
CID 22036603
1-[(4-phenoxyphenyl)methyl]-3-[1-(2-pyrrolidin-1-ylethyl)indazol-6-yl]urea
CID 11396908
2-(3-phenoxyphenyl)-N-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]acetamide
CID 11517811
N-[3-bromo-1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]-2-(4-phenoxyphenyl)acetamide
CID 11504558
N-[2-methyl-3-(2-pyrrolidin-1-ylethyl)-1H-inden-5-yl]-2-(4-phenylmethoxyphenyl)acetamide
CID 16718779
1-[7-[4-[(4-fluorophenyl)methoxy]phenoxy]heptyl]piperidine
CID 54061741
N-[3-[(4-fluorophenyl)methoxy]phenyl]-2-(2-oxopiperidin-1-yl)acetamide
CID 78869967
N-(4-ethoxyphenyl)-2-(4-fluorophenyl)acetamide
CID 2289388
2-(4-methoxyphenyl)-N-[4-(3-pyrrolidin-1-ylpropyl)phenyl]acetamide
CID 110314406
N-(1-ethylindazol-6-yl)-2-(3-methoxyphenyl)acetamide
CID 47083910
N-(4-fluorophenyl)-2-[4-[(4-phenylmethoxyphenyl)carbamothioyl]-1,4-diazepan-1-yl]acetamide
CID 3783930

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-fluorophenyl)methoxy]phenyl]-N-[1-(2-pyrrolidin-1-ylethyl)indazol-6-yl]acetamide?
The IUPAC name of 2-[4-[(4-fluorophenyl)methoxy]phenyl]-N-[1-(2-pyrrolidin-1-ylethyl)indazol-6-yl]acetamide (CID 11213617) is 2-[4-[(4-fluorophenyl)methoxy]phenyl]-N-[1-(2-pyrrolidin-1-ylethyl)indazol-6-yl]acetamide.
What is the SMILES notation for 2-[4-[(4-fluorophenyl)methoxy]phenyl]-N-[1-(2-pyrrolidin-1-ylethyl)indazol-6-yl]acetamide?
The canonical SMILES for 2-[4-[(4-fluorophenyl)methoxy]phenyl]-N-[1-(2-pyrrolidin-1-ylethyl)indazol-6-yl]acetamide is O=C(Cc1ccc(OCc2ccc(F)cc2)cc1)Nc1ccc2cnn(CCN3CCCC3)c2c1.
What is the InChIKey of 2-[4-[(4-fluorophenyl)methoxy]phenyl]-N-[1-(2-pyrrolidin-1-ylethyl)indazol-6-yl]acetamide?
The InChIKey is DKLAXRMFKZZMMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29FN4O2/c29-24-8-3-22(4-9-24)20-35-26-11-5-21(6-12-26)17-28(34)31-25-10-7-23-19-30-33(27(23)18-25)16-15-32-13-1-2-14-32/h3-12,18-19H,1-2,13-17,20H2,(H,31,34).
What are the key properties of 2-[4-[(4-fluorophenyl)methoxy]phenyl]-N-[1-(2-pyrrolidin-1-ylethyl)indazol-6-yl]acetamide?
2-[4-[(4-fluorophenyl)methoxy]phenyl]-N-[1-(2-pyrrolidin-1-ylethyl)indazol-6-yl]acetamide has a molecular weight of 472.56 g/mol, XLogP of 5.03, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-fluorophenyl)methoxy]phenyl]-N-[1-(2-pyrrolidin-1-ylethyl)indazol-6-yl]acetamide is sourced from PubChem (CID 11213617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).