2-(4-phenylmethoxyphenyl)-N-[2-(2-pyrrolidin-1-ylethyl)indazol-4-yl]acetamide

C28H30N4O2 — CID 11282448

IUPAC2-(4-phenylmethoxyphenyl)-N-[2-(2-pyrrolidin-1-ylethyl)indazol-4-yl]acetamide
SMILESO=C(Cc1ccc(OCc2ccccc2)cc1)Nc1cccc2nn(CCN3CCCC3)cc12
InChIInChI=1S/C28H30N4O2/c33-28(19-22-11-13-24(14-12-22)34-21-23-7-2-1-3-8-23)29-26-9-6-10-27-25(26)20-32(30-27)18-17-31-15-4-5-16-31/h1-3,6-14,20H,4-5,15-19,21H2,(H,29,33)
InChIKeyOBSULNHFZLLOIT-UHFFFAOYSA-N
MW454.57 g/mol
LogP4.89
Rot. Bonds9

About 2-(4-phenylmethoxyphenyl)-N-[2-(2-pyrrolidin-1-ylethyl)indazol-4-yl]acetamide

2-(4-phenylmethoxyphenyl)-N-[2-(2-pyrrolidin-1-ylethyl)indazol-4-yl]acetamide (PubChem CID 11282448) has the molecular formula C28H30N4O2 and a molecular weight of 454.57 g/mol. Its IUPAC name is 2-(4-phenylmethoxyphenyl)-N-[2-(2-pyrrolidin-1-ylethyl)indazol-4-yl]acetamide.

Molecular Properties

Compound Name2-(4-phenylmethoxyphenyl)-N-[2-(2-pyrrolidin-1-ylethyl)indazol-4-yl]acetamide
PubChem CID11282448
Molecular FormulaC28H30N4O2
Molecular Weight454.57 g/mol
Exact Mass454.24
IUPAC Name2-(4-phenylmethoxyphenyl)-N-[2-(2-pyrrolidin-1-ylethyl)indazol-4-yl]acetamide
SMILESO=C(Cc1ccc(OCc2ccccc2)cc1)Nc1cccc2nn(CCN3CCCC3)cc12
InChIInChI=1S/C28H30N4O2/c33-28(19-22-11-13-24(14-12-22)34-21-23-7-2-1-3-8-23)29-26-9-6-10-27-25(26)20-32(30-27)18-17-31-15-4-5-16-31/h1-3,6-14,20H,4-5,15-19,21H2,(H,29,33)
InChIKeyOBSULNHFZLLOIT-UHFFFAOYSA-N
XLogP4.89
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.57
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

CBP/p300-IN-17
CID 142504112
2-(4-(benzyloxy)phenyl)-N-(1-(2-(pyrrolidin-1-yl)ethyl)-1H-indazol-6-yl)acetamide
CID 11775399
N-[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]-1-propan-2-ylindazole-3-carboxamide
CID 9867783
2-(4-Benzyloxy-phenyl)-N-[2-(2-pyrrolidin-1-yl-ethyl)-2H-indazol-6-yl]-acetamide
CID 11190261
2-[4-(benzyloxy)phenyl]-N-[1-(2-pyrrolidin-1-ylethyl)-1H-indazol-5-yl]acetamide
CID 11270984
2-(4-phenoxyphenyl)-N-[1-(2-pyrrolidin-1-ylethyl)-1H-indazol-5-yl]acetamide
CID 11351174
1-(4-Phenoxy-benzyl)-3-[1-(2-pyrrolidin-1-yl-ethyl)-1H-indazol-6-yl]-urea
CID 11396908
N-(4-phenoxyphenyl)-N'-[1-(2-pyrrolidin-1-ylethyl)-1H-indazol-5-yl]urea
CID 11419337
N-(4-phenoxyphenyl)-N'-[2-(2-pyrrolidin-1-ylethyl)-2H-indazol-5-yl]urea
CID 11419338
2-[4-(benzyloxy)phenyl]-N-[1-(2-pyrrolidin-1-ylethyl)-1H-indazol-4-yl]acetamide
CID 11419666
1-[2-(4-Phenoxy-phenyl)-ethyl]-3-[1-(2-pyrrolidin-1-yl-ethyl)-1H-indazol-6-yl]-urea
CID 11454184
1-(4-Benzyloxy-phenyl)-3-[1-(2-pyrrolidin-1-yl-ethyl)-1H-indazol-6-yl]-urea
CID 11518159

Frequently Asked Questions

What is the IUPAC name of 2-(4-phenylmethoxyphenyl)-N-[2-(2-pyrrolidin-1-ylethyl)indazol-4-yl]acetamide?
The IUPAC name of 2-(4-phenylmethoxyphenyl)-N-[2-(2-pyrrolidin-1-ylethyl)indazol-4-yl]acetamide (CID 11282448) is 2-(4-phenylmethoxyphenyl)-N-[2-(2-pyrrolidin-1-ylethyl)indazol-4-yl]acetamide.
What is the SMILES notation for 2-(4-phenylmethoxyphenyl)-N-[2-(2-pyrrolidin-1-ylethyl)indazol-4-yl]acetamide?
The canonical SMILES for 2-(4-phenylmethoxyphenyl)-N-[2-(2-pyrrolidin-1-ylethyl)indazol-4-yl]acetamide is O=C(Cc1ccc(OCc2ccccc2)cc1)Nc1cccc2nn(CCN3CCCC3)cc12.
What is the InChIKey of 2-(4-phenylmethoxyphenyl)-N-[2-(2-pyrrolidin-1-ylethyl)indazol-4-yl]acetamide?
The InChIKey is OBSULNHFZLLOIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N4O2/c33-28(19-22-11-13-24(14-12-22)34-21-23-7-2-1-3-8-23)29-26-9-6-10-27-25(26)20-32(30-27)18-17-31-15-4-5-16-31/h1-3,6-14,20H,4-5,15-19,21H2,(H,29,33).
What are the key properties of 2-(4-phenylmethoxyphenyl)-N-[2-(2-pyrrolidin-1-ylethyl)indazol-4-yl]acetamide?
2-(4-phenylmethoxyphenyl)-N-[2-(2-pyrrolidin-1-ylethyl)indazol-4-yl]acetamide has a molecular weight of 454.57 g/mol, XLogP of 4.89, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenylmethoxyphenyl)-N-[2-(2-pyrrolidin-1-ylethyl)indazol-4-yl]acetamide is sourced from PubChem (CID 11282448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).