(1-methylpyrrol-2-yl)-[(2S)-2-[5-(morpholin-4-ylmethyl)-2-pyridinyl]pyrrolidin-1-yl]methanone

C20H26N4O2 — CID 124952337

IUPAC(1-methylpyrrol-2-yl)-[(2S)-2-[5-(morpholin-4-ylmethyl)-2-pyridinyl]pyrrolidin-1-yl]methanone
SMILESCn1cccc1C(=O)N1CCC[C@H]1c1ccc(CN2CCOCC2)cn1
InChIInChI=1S/C20H26N4O2/c1-22-8-2-5-19(22)20(25)24-9-3-4-18(24)17-7-6-16(14-21-17)15-23-10-12-26-13-11-23/h2,5-8,14,18H,3-4,9-13,15H2,1H3/t18-/m0/s1
InChIKeyDNPQIUKKXISDLC-SFHVURJKSA-N
MW354.45 g/mol
LogP2.23
Rot. Bonds4

About (1-methylpyrrol-2-yl)-[(2S)-2-[5-(morpholin-4-ylmethyl)-2-pyridinyl]pyrrolidin-1-yl]methanone

(1-methylpyrrol-2-yl)-[(2S)-2-[5-(morpholin-4-ylmethyl)-2-pyridinyl]pyrrolidin-1-yl]methanone (PubChem CID 124952337) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is (1-methylpyrrol-2-yl)-[(2S)-2-[5-(morpholin-4-ylmethyl)-2-pyridinyl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(1-methylpyrrol-2-yl)-[(2S)-2-[5-(morpholin-4-ylmethyl)-2-pyridinyl]pyrrolidin-1-yl]methanone
PubChem CID124952337
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name(1-methylpyrrol-2-yl)-[(2S)-2-[5-(morpholin-4-ylmethyl)-2-pyridinyl]pyrrolidin-1-yl]methanone
SMILESCn1cccc1C(=O)N1CCC[C@H]1c1ccc(CN2CCOCC2)cn1
InChIInChI=1S/C20H26N4O2/c1-22-8-2-5-19(22)20(25)24-9-3-4-18(24)17-7-6-16(14-21-17)15-23-10-12-26-13-11-23/h2,5-8,14,18H,3-4,9-13,15H2,1H3/t18-/m0/s1
InChIKeyDNPQIUKKXISDLC-SFHVURJKSA-N
XLogP2.23
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (1-methylpyrrol-2-yl)-[(2S)-2-[5-(morpholin-4-ylmethyl)-2-pyridinyl]pyrrolidin-1-yl]methanone 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 (1-methylpyrrol-2-yl)-[(2S)-2-[5-(morpholin-4-ylmethyl)-2-pyridinyl]pyrrolidin-1-yl]methanone?
The IUPAC name of (1-methylpyrrol-2-yl)-[(2S)-2-[5-(morpholin-4-ylmethyl)-2-pyridinyl]pyrrolidin-1-yl]methanone (CID 124952337) is (1-methylpyrrol-2-yl)-[(2S)-2-[5-(morpholin-4-ylmethyl)-2-pyridinyl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for (1-methylpyrrol-2-yl)-[(2S)-2-[5-(morpholin-4-ylmethyl)-2-pyridinyl]pyrrolidin-1-yl]methanone?
The canonical SMILES for (1-methylpyrrol-2-yl)-[(2S)-2-[5-(morpholin-4-ylmethyl)-2-pyridinyl]pyrrolidin-1-yl]methanone is Cn1cccc1C(=O)N1CCC[C@H]1c1ccc(CN2CCOCC2)cn1.
What is the InChIKey of (1-methylpyrrol-2-yl)-[(2S)-2-[5-(morpholin-4-ylmethyl)-2-pyridinyl]pyrrolidin-1-yl]methanone?
The InChIKey is DNPQIUKKXISDLC-SFHVURJKSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-22-8-2-5-19(22)20(25)24-9-3-4-18(24)17-7-6-16(14-21-17)15-23-10-12-26-13-11-23/h2,5-8,14,18H,3-4,9-13,15H2,1H3/t18-/m0/s1.
What are the key properties of (1-methylpyrrol-2-yl)-[(2S)-2-[5-(morpholin-4-ylmethyl)-2-pyridinyl]pyrrolidin-1-yl]methanone?
(1-methylpyrrol-2-yl)-[(2S)-2-[5-(morpholin-4-ylmethyl)-2-pyridinyl]pyrrolidin-1-yl]methanone has a molecular weight of 354.45 g/mol, XLogP of 2.23, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpyrrol-2-yl)-[(2S)-2-[5-(morpholin-4-ylmethyl)-2-pyridinyl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 124952337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).