2-(3-phenoxyphenyl)-N-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]acetamide

C27H28N4O2 — CID 11517811

IUPAC2-(3-phenoxyphenyl)-N-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]acetamide
SMILESO=C(Cc1cccc(Oc2ccccc2)c1)Nc1ccc2c(cnn2CCN2CCCC2)c1
InChIInChI=1S/C27H28N4O2/c32-27(18-21-7-6-10-25(17-21)33-24-8-2-1-3-9-24)29-23-11-12-26-22(19-23)20-28-31(26)16-15-30-13-4-5-14-30/h1-3,6-12,17,19-20H,4-5,13-16,18H2,(H,29,32)
InChIKeyQLTHUPJZRFCDTM-UHFFFAOYSA-N
MW440.55 g/mol
LogP5.11
Rot. Bonds8

About 2-(3-phenoxyphenyl)-N-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]acetamide

2-(3-phenoxyphenyl)-N-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]acetamide (PubChem CID 11517811) has the molecular formula C27H28N4O2 and a molecular weight of 440.55 g/mol. Its IUPAC name is 2-(3-phenoxyphenyl)-N-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]acetamide.

Molecular Properties

Compound Name2-(3-phenoxyphenyl)-N-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]acetamide
PubChem CID11517811
Molecular FormulaC27H28N4O2
Molecular Weight440.55 g/mol
Exact Mass440.22
IUPAC Name2-(3-phenoxyphenyl)-N-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]acetamide
SMILESO=C(Cc1cccc(Oc2ccccc2)c1)Nc1ccc2c(cnn2CCN2CCCC2)c1
InChIInChI=1S/C27H28N4O2/c32-27(18-21-7-6-10-25(17-21)33-24-8-2-1-3-9-24)29-23-11-12-26-22(19-23)20-28-31(26)16-15-30-13-4-5-14-30/h1-3,6-12,17,19-20H,4-5,13-16,18H2,(H,29,32)
InChIKeyQLTHUPJZRFCDTM-UHFFFAOYSA-N
XLogP5.11
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.55
LogP ≤ 55.11
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
1-[(4-phenoxyphenyl)methyl]-3-[1-(2-pyrrolidin-1-ylethyl)indazol-6-yl]urea
CID 11396908
N-[3-bromo-1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]-2-(4-phenoxyphenyl)acetamide
CID 11504558
1-[1-[2-(3-hydroxypyrrolidin-1-yl)ethyl]indazol-5-yl]-3-(4-phenoxyphenyl)urea
CID 11259634
2-(4-hydroxyphenyl)-N-[1-(2-pyrrolidin-1-ylethyl)indazol-6-yl]acetamide
CID 22036603
N-(1-ethylindazol-6-yl)-2-(3-methoxyphenyl)acetamide
CID 47083910
2-indazol-1-yl-N-[3-(pyrrolidin-1-ylmethyl)phenyl]acetamide
CID 131952566
N-(3-methylphenyl)-2-(3-phenoxyphenyl)acetamide
CID 59014791
4-(benzylamino)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one
CID 25055055
2-(3-methoxyphenyl)-N-[4-[(2-piperidin-1-ylacetyl)amino]phenyl]acetamide
CID 131909721
N-[4-[3-(pyrrolidin-1-ylmethyl)phenoxy]phenyl]acetamide
CID 56716664
1-[1-methyl-2-(pyrrolidin-1-ylmethyl)indol-5-yl]-3-(4-phenoxyphenyl)urea
CID 12972944

Frequently Asked Questions

What is the IUPAC name of 2-(3-phenoxyphenyl)-N-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]acetamide?
The IUPAC name of 2-(3-phenoxyphenyl)-N-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]acetamide (CID 11517811) is 2-(3-phenoxyphenyl)-N-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]acetamide.
What is the SMILES notation for 2-(3-phenoxyphenyl)-N-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]acetamide?
The canonical SMILES for 2-(3-phenoxyphenyl)-N-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]acetamide is O=C(Cc1cccc(Oc2ccccc2)c1)Nc1ccc2c(cnn2CCN2CCCC2)c1.
What is the InChIKey of 2-(3-phenoxyphenyl)-N-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]acetamide?
The InChIKey is QLTHUPJZRFCDTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O2/c32-27(18-21-7-6-10-25(17-21)33-24-8-2-1-3-9-24)29-23-11-12-26-22(19-23)20-28-31(26)16-15-30-13-4-5-14-30/h1-3,6-12,17,19-20H,4-5,13-16,18H2,(H,29,32).
What are the key properties of 2-(3-phenoxyphenyl)-N-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]acetamide?
2-(3-phenoxyphenyl)-N-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]acetamide has a molecular weight of 440.55 g/mol, XLogP of 5.11, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenoxyphenyl)-N-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]acetamide is sourced from PubChem (CID 11517811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).