2-(benzotriazol-1-yl)-1-[(2R)-2-[5-(morpholine-4-carbonyl)-2-pyridinyl]pyrrolidin-1-yl]ethanone

C22H24N6O3 — CID 92623245

IUPAC2-(benzotriazol-1-yl)-1-[(2R)-2-[5-(morpholine-4-carbonyl)-2-pyridinyl]pyrrolidin-1-yl]ethanone
SMILESO=C(c1ccc([C@H]2CCCN2C(=O)Cn2nnc3ccccc32)nc1)N1CCOCC1
InChIInChI=1S/C22H24N6O3/c29-21(15-28-20-5-2-1-4-18(20)24-25-28)27-9-3-6-19(27)17-8-7-16(14-23-17)22(30)26-10-12-31-13-11-26/h1-2,4-5,7-8,14,19H,3,6,9-13,15H2/t19-/m1/s1
InChIKeyGYVNIKJVNGRFQI-LJQANCHMSA-N
MW420.47 g/mol
LogP1.66
Rot. Bonds4

About 2-(benzotriazol-1-yl)-1-[(2R)-2-[5-(morpholine-4-carbonyl)-2-pyridinyl]pyrrolidin-1-yl]ethanone

2-(benzotriazol-1-yl)-1-[(2R)-2-[5-(morpholine-4-carbonyl)-2-pyridinyl]pyrrolidin-1-yl]ethanone (PubChem CID 92623245) has the molecular formula C22H24N6O3 and a molecular weight of 420.47 g/mol. Its IUPAC name is 2-(benzotriazol-1-yl)-1-[(2R)-2-[5-(morpholine-4-carbonyl)-2-pyridinyl]pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(benzotriazol-1-yl)-1-[(2R)-2-[5-(morpholine-4-carbonyl)-2-pyridinyl]pyrrolidin-1-yl]ethanone
PubChem CID92623245
Molecular FormulaC22H24N6O3
Molecular Weight420.47 g/mol
Exact Mass420.19
IUPAC Name2-(benzotriazol-1-yl)-1-[(2R)-2-[5-(morpholine-4-carbonyl)-2-pyridinyl]pyrrolidin-1-yl]ethanone
SMILESO=C(c1ccc([C@H]2CCCN2C(=O)Cn2nnc3ccccc32)nc1)N1CCOCC1
InChIInChI=1S/C22H24N6O3/c29-21(15-28-20-5-2-1-4-18(20)24-25-28)27-9-3-6-19(27)17-8-7-16(14-23-17)22(30)26-10-12-31-13-11-26/h1-2,4-5,7-8,14,19H,3,6,9-13,15H2/t19-/m1/s1
InChIKeyGYVNIKJVNGRFQI-LJQANCHMSA-N
XLogP1.66
TPSA93.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-(benzotriazol-1-yl)-1-[(2R)-2-[5-(morpholine-4-carbonyl)-2-pyridinyl]pyrrolidin-1-yl]ethanone with MolForge

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

Launch Full Analysis

Related Compounds

[6-[(2R)-1-(6-methoxypyridine-3-carbonyl)pyrrolidin-2-yl]-3-pyridinyl]-morpholin-4-ylmethanone
CID 92623624
2-(2-methyl-1,3-thiazol-4-yl)-1-[2-[5-(morpholine-4-carbonyl)-2-pyridinyl]pyrrolidin-1-yl]ethanone
CID 110264477
[6-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)pyrrolidin-2-yl]-3-pyridinyl]-morpholin-4-ylmethanone
CID 110264459
6-[(3S)-1-[2-(benzotriazol-1-yl)acetyl]piperidin-3-yl]-N,N-dimethylpyridine-3-carboxamide
CID 92640653
(2-methyl-3H-benzimidazol-5-yl)-[(2R)-2-[5-(morpholine-4-carbonyl)-2-pyridinyl]pyrrolidin-1-yl]methanone
CID 92623249
2-(benzotriazol-1-yl)-1-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone
CID 95569415
2-(benzotriazol-1-yl)-1-[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-yl]ethanone
CID 99865867
2-(benzotriazol-1-yl)-1-[(2S)-2-methylpiperidin-1-yl]ethanone
CID 863050
2-(benzotriazol-1-yl)-1-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethanone
CID 154799821
2-(benzotriazol-1-yl)-1-[(2S)-2-benzylpyrrolidin-1-yl]ethanone
CID 94614680
2-(benzotriazol-1-yl)-1-[(2S)-2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]ethanone
CID 125023926
2-(benzotriazol-1-yl)-1-[(2R)-2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]ethanone
CID 125023927

Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-1-yl)-1-[(2R)-2-[5-(morpholine-4-carbonyl)-2-pyridinyl]pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-(benzotriazol-1-yl)-1-[(2R)-2-[5-(morpholine-4-carbonyl)-2-pyridinyl]pyrrolidin-1-yl]ethanone (CID 92623245) is 2-(benzotriazol-1-yl)-1-[(2R)-2-[5-(morpholine-4-carbonyl)-2-pyridinyl]pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-(benzotriazol-1-yl)-1-[(2R)-2-[5-(morpholine-4-carbonyl)-2-pyridinyl]pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-(benzotriazol-1-yl)-1-[(2R)-2-[5-(morpholine-4-carbonyl)-2-pyridinyl]pyrrolidin-1-yl]ethanone is O=C(c1ccc([C@H]2CCCN2C(=O)Cn2nnc3ccccc32)nc1)N1CCOCC1.
What is the InChIKey of 2-(benzotriazol-1-yl)-1-[(2R)-2-[5-(morpholine-4-carbonyl)-2-pyridinyl]pyrrolidin-1-yl]ethanone?
The InChIKey is GYVNIKJVNGRFQI-LJQANCHMSA-N. The full InChI is InChI=1S/C22H24N6O3/c29-21(15-28-20-5-2-1-4-18(20)24-25-28)27-9-3-6-19(27)17-8-7-16(14-23-17)22(30)26-10-12-31-13-11-26/h1-2,4-5,7-8,14,19H,3,6,9-13,15H2/t19-/m1/s1.
What are the key properties of 2-(benzotriazol-1-yl)-1-[(2R)-2-[5-(morpholine-4-carbonyl)-2-pyridinyl]pyrrolidin-1-yl]ethanone?
2-(benzotriazol-1-yl)-1-[(2R)-2-[5-(morpholine-4-carbonyl)-2-pyridinyl]pyrrolidin-1-yl]ethanone has a molecular weight of 420.47 g/mol, XLogP of 1.66, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-1-yl)-1-[(2R)-2-[5-(morpholine-4-carbonyl)-2-pyridinyl]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 92623245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).