(4S)-4-(1H-indazol-6-ylmethylamino)-1-(2-morpholin-4-ylethyl)pyrrolidin-2-one

C18H25N5O2 — CID 124612429

IUPAC(4S)-4-(1H-indazol-6-ylmethylamino)-1-(2-morpholin-4-ylethyl)pyrrolidin-2-one
SMILESO=C1C[C@H](NCc2ccc3cn[nH]c3c2)CN1CCN1CCOCC1
InChIInChI=1S/C18H25N5O2/c24-18-10-16(13-23(18)4-3-22-5-7-25-8-6-22)19-11-14-1-2-15-12-20-21-17(15)9-14/h1-2,9,12,16,19H,3-8,10-11,13H2,(H,20,21)/t16-/m0/s1
InChIKeyWEBZHCRXSHYNCL-INIZCTEOSA-N
MW343.43 g/mol
LogP0.59
Rot. Bonds6

About (4S)-4-(1H-indazol-6-ylmethylamino)-1-(2-morpholin-4-ylethyl)pyrrolidin-2-one

(4S)-4-(1H-indazol-6-ylmethylamino)-1-(2-morpholin-4-ylethyl)pyrrolidin-2-one (PubChem CID 124612429) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is (4S)-4-(1H-indazol-6-ylmethylamino)-1-(2-morpholin-4-ylethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-4-(1H-indazol-6-ylmethylamino)-1-(2-morpholin-4-ylethyl)pyrrolidin-2-one
PubChem CID124612429
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name(4S)-4-(1H-indazol-6-ylmethylamino)-1-(2-morpholin-4-ylethyl)pyrrolidin-2-one
SMILESO=C1C[C@H](NCc2ccc3cn[nH]c3c2)CN1CCN1CCOCC1
InChIInChI=1S/C18H25N5O2/c24-18-10-16(13-23(18)4-3-22-5-7-25-8-6-22)19-11-14-1-2-15-12-20-21-17(15)9-14/h1-2,9,12,16,19H,3-8,10-11,13H2,(H,20,21)/t16-/m0/s1
InChIKeyWEBZHCRXSHYNCL-INIZCTEOSA-N
XLogP0.59
TPSA73.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (4S)-4-(1H-indazol-6-ylmethylamino)-1-(2-morpholin-4-ylethyl)pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(1H-indazol-6-ylmethylamino)-1-(2-morpholin-4-ylethyl)pyrrolidin-2-one?
The IUPAC name of (4S)-4-(1H-indazol-6-ylmethylamino)-1-(2-morpholin-4-ylethyl)pyrrolidin-2-one (CID 124612429) is (4S)-4-(1H-indazol-6-ylmethylamino)-1-(2-morpholin-4-ylethyl)pyrrolidin-2-one.
What is the SMILES notation for (4S)-4-(1H-indazol-6-ylmethylamino)-1-(2-morpholin-4-ylethyl)pyrrolidin-2-one?
The canonical SMILES for (4S)-4-(1H-indazol-6-ylmethylamino)-1-(2-morpholin-4-ylethyl)pyrrolidin-2-one is O=C1C[C@H](NCc2ccc3cn[nH]c3c2)CN1CCN1CCOCC1.
What is the InChIKey of (4S)-4-(1H-indazol-6-ylmethylamino)-1-(2-morpholin-4-ylethyl)pyrrolidin-2-one?
The InChIKey is WEBZHCRXSHYNCL-INIZCTEOSA-N. The full InChI is InChI=1S/C18H25N5O2/c24-18-10-16(13-23(18)4-3-22-5-7-25-8-6-22)19-11-14-1-2-15-12-20-21-17(15)9-14/h1-2,9,12,16,19H,3-8,10-11,13H2,(H,20,21)/t16-/m0/s1.
What are the key properties of (4S)-4-(1H-indazol-6-ylmethylamino)-1-(2-morpholin-4-ylethyl)pyrrolidin-2-one?
(4S)-4-(1H-indazol-6-ylmethylamino)-1-(2-morpholin-4-ylethyl)pyrrolidin-2-one has a molecular weight of 343.43 g/mol, XLogP of 0.59, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(1H-indazol-6-ylmethylamino)-1-(2-morpholin-4-ylethyl)pyrrolidin-2-one is sourced from PubChem (CID 124612429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).