4-(aminomethyl)-1-[2-(1H-indazol-6-yl)ethyl]pyrrolidin-2-one

C14H18N4O — CID 168660252

IUPAC4-(aminomethyl)-1-[2-(1H-indazol-6-yl)ethyl]pyrrolidin-2-one
SMILESNCC1CC(=O)N(CCc2ccc3cn[nH]c3c2)C1
InChIInChI=1S/C14H18N4O/c15-7-11-6-14(19)18(9-11)4-3-10-1-2-12-8-16-17-13(12)5-10/h1-2,5,8,11H,3-4,6-7,9,15H2,(H,16,17)
InChIKeyOFZNJADLRDSEGO-UHFFFAOYSA-N
MW258.32 g/mol
LogP0.91
Rot. Bonds4

About 4-(aminomethyl)-1-[2-(1H-indazol-6-yl)ethyl]pyrrolidin-2-one

4-(aminomethyl)-1-[2-(1H-indazol-6-yl)ethyl]pyrrolidin-2-one (PubChem CID 168660252) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 4-(aminomethyl)-1-[2-(1H-indazol-6-yl)ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-(aminomethyl)-1-[2-(1H-indazol-6-yl)ethyl]pyrrolidin-2-one
PubChem CID168660252
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name4-(aminomethyl)-1-[2-(1H-indazol-6-yl)ethyl]pyrrolidin-2-one
SMILESNCC1CC(=O)N(CCc2ccc3cn[nH]c3c2)C1
InChIInChI=1S/C14H18N4O/c15-7-11-6-14(19)18(9-11)4-3-10-1-2-12-8-16-17-13(12)5-10/h1-2,5,8,11H,3-4,6-7,9,15H2,(H,16,17)
InChIKeyOFZNJADLRDSEGO-UHFFFAOYSA-N
XLogP0.91
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(1H-indazol-5-yl)ethyl]-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168670961
4-(chloromethyl)-1-(1H-indazol-6-ylmethyl)pyrrolidin-2-one
CID 168508451
4-(aminomethyl)-1-[2-(3-chlorophenyl)ethyl]pyrrolidin-2-one
CID 71683623
4-ethynyl-1-(1H-indazol-6-ylmethyl)pyrrolidin-2-one
CID 168501809
4-(aminomethyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]pyrrolidin-2-one;hydrochloride
CID 52988220
(4S)-4-(1H-indazol-6-ylmethylamino)-1-(2-morpholin-4-ylethyl)pyrrolidin-2-one
CID 124612429
4-(aminomethyl)-1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyrrolidin-2-one
CID 83552164
4-(aminomethyl)-1-[2-(1H-indol-2-yl)ethyl]pyrrolidin-2-one
CID 168660253
4-(bromomethyl)-1-[2-(3,4-dichlorophenyl)ethyl]pyrrolidin-2-one
CID 168504956
1-[2-(4-aminophenyl)ethyl]-4-(bromomethyl)pyrrolidin-2-one
CID 168504969
4-(aminomethyl)-1-[2-(2-hydroxyphenyl)ethyl]pyrrolidin-2-one
CID 168660240
[1-[2-(1H-indazol-4-yl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168682006

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-1-[2-(1H-indazol-6-yl)ethyl]pyrrolidin-2-one?
The IUPAC name of 4-(aminomethyl)-1-[2-(1H-indazol-6-yl)ethyl]pyrrolidin-2-one (CID 168660252) is 4-(aminomethyl)-1-[2-(1H-indazol-6-yl)ethyl]pyrrolidin-2-one.
What is the SMILES notation for 4-(aminomethyl)-1-[2-(1H-indazol-6-yl)ethyl]pyrrolidin-2-one?
The canonical SMILES for 4-(aminomethyl)-1-[2-(1H-indazol-6-yl)ethyl]pyrrolidin-2-one is NCC1CC(=O)N(CCc2ccc3cn[nH]c3c2)C1.
What is the InChIKey of 4-(aminomethyl)-1-[2-(1H-indazol-6-yl)ethyl]pyrrolidin-2-one?
The InChIKey is OFZNJADLRDSEGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c15-7-11-6-14(19)18(9-11)4-3-10-1-2-12-8-16-17-13(12)5-10/h1-2,5,8,11H,3-4,6-7,9,15H2,(H,16,17).
What are the key properties of 4-(aminomethyl)-1-[2-(1H-indazol-6-yl)ethyl]pyrrolidin-2-one?
4-(aminomethyl)-1-[2-(1H-indazol-6-yl)ethyl]pyrrolidin-2-one has a molecular weight of 258.32 g/mol, XLogP of 0.91, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-1-[2-(1H-indazol-6-yl)ethyl]pyrrolidin-2-one is sourced from PubChem (CID 168660252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).