2-indazol-1-yl-1-[(2R)-2-pyridin-4-ylpyrrolidin-1-yl]ethanone

C18H18N4O — CID 97084407

IUPAC2-indazol-1-yl-1-[(2R)-2-pyridin-4-ylpyrrolidin-1-yl]ethanone
SMILESO=C(Cn1ncc2ccccc21)N1CCC[C@@H]1c1ccncc1
InChIInChI=1S/C18H18N4O/c23-18(13-22-17-5-2-1-4-15(17)12-20-22)21-11-3-6-16(21)14-7-9-19-10-8-14/h1-2,4-5,7-10,12,16H,3,6,11,13H2/t16-/m1/s1
InChIKeyODNKCZMZRYYECL-MRXNPFEDSA-N
MW306.37 g/mol
LogP2.80
Rot. Bonds3

About 2-indazol-1-yl-1-[(2R)-2-pyridin-4-ylpyrrolidin-1-yl]ethanone

2-indazol-1-yl-1-[(2R)-2-pyridin-4-ylpyrrolidin-1-yl]ethanone (PubChem CID 97084407) has the molecular formula C18H18N4O and a molecular weight of 306.37 g/mol. Its IUPAC name is 2-indazol-1-yl-1-[(2R)-2-pyridin-4-ylpyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-indazol-1-yl-1-[(2R)-2-pyridin-4-ylpyrrolidin-1-yl]ethanone
PubChem CID97084407
Molecular FormulaC18H18N4O
Molecular Weight306.37 g/mol
Exact Mass306.15
IUPAC Name2-indazol-1-yl-1-[(2R)-2-pyridin-4-ylpyrrolidin-1-yl]ethanone
SMILESO=C(Cn1ncc2ccccc21)N1CCC[C@@H]1c1ccncc1
InChIInChI=1S/C18H18N4O/c23-18(13-22-17-5-2-1-4-15(17)12-20-22)21-11-3-6-16(21)14-7-9-19-10-8-14/h1-2,4-5,7-10,12,16H,3,6,11,13H2/t16-/m1/s1
InChIKeyODNKCZMZRYYECL-MRXNPFEDSA-N
XLogP2.80
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-indazol-1-yl-1-[(2S)-2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone
CID 29026030
1-[(3aR,7aS)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-2-indazol-1-ylethanone
CID 95324189
1-[(3aR,7aR)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-2-indazol-1-ylethanone
CID 95324191
1-(2-indazol-1-ylacetyl)piperidine-3-carboxylic acid
CID 102553180
4-oxo-4-(2-pyridin-4-ylpyrrolidin-1-yl)butanoic acid
CID 43578440
1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-indazol-1-ylethanone
CID 111562018
cyclobutyl-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 42939217
4-tert-butylsulfanyl-1-[(2R)-2-pyridin-4-ylpyrrolidin-1-yl]butan-1-one
CID 97241360
[(3S)-1-benzylpiperidin-3-yl]-[(2S)-2-pyridin-4-ylpyrrolidin-1-yl]methanone
CID 98763268
4-methyl-3-[2-oxo-2-(2-pyridin-4-ylpyrrolidin-1-yl)ethyl]-1,3-thiazol-2-one
CID 24670296
1-[2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl]cinnolin-4-one
CID 17495969
2-(2-chlorophenoxy)-1-(2-pyridin-4-ylpyrrolidin-1-yl)ethanone
CID 86917626

Frequently Asked Questions

What is the IUPAC name of 2-indazol-1-yl-1-[(2R)-2-pyridin-4-ylpyrrolidin-1-yl]ethanone?
The IUPAC name of 2-indazol-1-yl-1-[(2R)-2-pyridin-4-ylpyrrolidin-1-yl]ethanone (CID 97084407) is 2-indazol-1-yl-1-[(2R)-2-pyridin-4-ylpyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-indazol-1-yl-1-[(2R)-2-pyridin-4-ylpyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-indazol-1-yl-1-[(2R)-2-pyridin-4-ylpyrrolidin-1-yl]ethanone is O=C(Cn1ncc2ccccc21)N1CCC[C@@H]1c1ccncc1.
What is the InChIKey of 2-indazol-1-yl-1-[(2R)-2-pyridin-4-ylpyrrolidin-1-yl]ethanone?
The InChIKey is ODNKCZMZRYYECL-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H18N4O/c23-18(13-22-17-5-2-1-4-15(17)12-20-22)21-11-3-6-16(21)14-7-9-19-10-8-14/h1-2,4-5,7-10,12,16H,3,6,11,13H2/t16-/m1/s1.
What are the key properties of 2-indazol-1-yl-1-[(2R)-2-pyridin-4-ylpyrrolidin-1-yl]ethanone?
2-indazol-1-yl-1-[(2R)-2-pyridin-4-ylpyrrolidin-1-yl]ethanone has a molecular weight of 306.37 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-indazol-1-yl-1-[(2R)-2-pyridin-4-ylpyrrolidin-1-yl]ethanone is sourced from PubChem (CID 97084407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).