(2,3-dimethyl-1H-indol-5-yl)-[3-[4-methyl-5-(morpholine-4-carbonyl)pyrimidin-2-yl]pyrrolidin-1-yl]methanone

C25H29N5O3 — CID 127244608

IUPAC(2,3-dimethyl-1H-indol-5-yl)-[3-[4-methyl-5-(morpholine-4-carbonyl)pyrimidin-2-yl]pyrrolidin-1-yl]methanone
SMILESCc1nc(C2CCN(C(=O)c3ccc4[nH]c(C)c(C)c4c3)C2)ncc1C(=O)N1CCOCC1
InChIInChI=1S/C25H29N5O3/c1-15-16(2)27-22-5-4-18(12-20(15)22)24(31)30-7-6-19(14-30)23-26-13-21(17(3)28-23)25(32)29-8-10-33-11-9-29/h4-5,12-13,19,27H,6-11,14H2,1-3H3
InChIKeyGSLJULWVGHJGJJ-UHFFFAOYSA-N
MW447.54 g/mol
LogP2.99
Rot. Bonds3

About (2,3-dimethyl-1H-indol-5-yl)-[3-[4-methyl-5-(morpholine-4-carbonyl)pyrimidin-2-yl]pyrrolidin-1-yl]methanone

(2,3-dimethyl-1H-indol-5-yl)-[3-[4-methyl-5-(morpholine-4-carbonyl)pyrimidin-2-yl]pyrrolidin-1-yl]methanone (PubChem CID 127244608) has the molecular formula C25H29N5O3 and a molecular weight of 447.54 g/mol. Its IUPAC name is (2,3-dimethyl-1H-indol-5-yl)-[3-[4-methyl-5-(morpholine-4-carbonyl)pyrimidin-2-yl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(2,3-dimethyl-1H-indol-5-yl)-[3-[4-methyl-5-(morpholine-4-carbonyl)pyrimidin-2-yl]pyrrolidin-1-yl]methanone
PubChem CID127244608
Molecular FormulaC25H29N5O3
Molecular Weight447.54 g/mol
Exact Mass447.23
IUPAC Name(2,3-dimethyl-1H-indol-5-yl)-[3-[4-methyl-5-(morpholine-4-carbonyl)pyrimidin-2-yl]pyrrolidin-1-yl]methanone
SMILESCc1nc(C2CCN(C(=O)c3ccc4[nH]c(C)c(C)c4c3)C2)ncc1C(=O)N1CCOCC1
InChIInChI=1S/C25H29N5O3/c1-15-16(2)27-22-5-4-18(12-20(15)22)24(31)30-7-6-19(14-30)23-26-13-21(17(3)28-23)25(32)29-8-10-33-11-9-29/h4-5,12-13,19,27H,6-11,14H2,1-3H3
InChIKeyGSLJULWVGHJGJJ-UHFFFAOYSA-N
XLogP2.99
TPSA91.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.54
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze (2,3-dimethyl-1H-indol-5-yl)-[3-[4-methyl-5-(morpholine-4-carbonyl)pyrimidin-2-yl]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

Related Compounds

[2-[1-(5-fluoro-3-methyl-1H-indole-2-carbonyl)piperidin-3-yl]-4-methylpyrimidin-5-yl]-pyrrolidin-1-ylmethanone
CID 110084751
2-[4-(dimethylamino)phenyl]-1-[3-[4-methyl-5-(morpholine-4-carbonyl)pyrimidin-2-yl]pyrrolidin-1-yl]ethanone
CID 110088765
cyclobutyl-[(3S)-3-[4-methyl-5-(morpholine-4-carbonyl)pyrimidin-2-yl]piperidin-1-yl]methanone
CID 92640304
cyclobutyl-[(3R)-3-[4-methyl-5-(morpholine-4-carbonyl)pyrimidin-2-yl]piperidin-1-yl]methanone
CID 92640303
(2,3-dimethyl-1H-indol-5-yl)-[(3S)-3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]methanone
CID 125006215
[4-methyl-2-[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]pyrimidin-5-yl]-morpholin-4-ylmethanone
CID 92636049
(2-methyl-3H-benzimidazol-5-yl)-[(2S)-2-[4-methyl-5-(morpholine-4-carbonyl)pyrimidin-2-yl]pyrrolidin-1-yl]methanone
CID 92637289
(2,3-dimethyl-1H-indol-5-yl)-(4-methylazepan-1-yl)methanone
CID 62046658
(2,3-dimethyl-1H-indol-5-yl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 114680498
(2,3-dimethyl-1H-indol-5-yl)-(3-methoxypyrrolidin-1-yl)methanone
CID 103536921
1-[4-[4-methyl-5-(morpholine-4-carbonyl)pyrimidin-2-yl]piperidin-1-yl]-2-pyridin-2-ylethanone
CID 92636040
[2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-(2,3-dimethyl-1H-indol-5-yl)methanone
CID 155983479

Frequently Asked Questions

What is the IUPAC name of (2,3-dimethyl-1H-indol-5-yl)-[3-[4-methyl-5-(morpholine-4-carbonyl)pyrimidin-2-yl]pyrrolidin-1-yl]methanone?
The IUPAC name of (2,3-dimethyl-1H-indol-5-yl)-[3-[4-methyl-5-(morpholine-4-carbonyl)pyrimidin-2-yl]pyrrolidin-1-yl]methanone (CID 127244608) is (2,3-dimethyl-1H-indol-5-yl)-[3-[4-methyl-5-(morpholine-4-carbonyl)pyrimidin-2-yl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for (2,3-dimethyl-1H-indol-5-yl)-[3-[4-methyl-5-(morpholine-4-carbonyl)pyrimidin-2-yl]pyrrolidin-1-yl]methanone?
The canonical SMILES for (2,3-dimethyl-1H-indol-5-yl)-[3-[4-methyl-5-(morpholine-4-carbonyl)pyrimidin-2-yl]pyrrolidin-1-yl]methanone is Cc1nc(C2CCN(C(=O)c3ccc4[nH]c(C)c(C)c4c3)C2)ncc1C(=O)N1CCOCC1.
What is the InChIKey of (2,3-dimethyl-1H-indol-5-yl)-[3-[4-methyl-5-(morpholine-4-carbonyl)pyrimidin-2-yl]pyrrolidin-1-yl]methanone?
The InChIKey is GSLJULWVGHJGJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O3/c1-15-16(2)27-22-5-4-18(12-20(15)22)24(31)30-7-6-19(14-30)23-26-13-21(17(3)28-23)25(32)29-8-10-33-11-9-29/h4-5,12-13,19,27H,6-11,14H2,1-3H3.
What are the key properties of (2,3-dimethyl-1H-indol-5-yl)-[3-[4-methyl-5-(morpholine-4-carbonyl)pyrimidin-2-yl]pyrrolidin-1-yl]methanone?
(2,3-dimethyl-1H-indol-5-yl)-[3-[4-methyl-5-(morpholine-4-carbonyl)pyrimidin-2-yl]pyrrolidin-1-yl]methanone has a molecular weight of 447.54 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethyl-1H-indol-5-yl)-[3-[4-methyl-5-(morpholine-4-carbonyl)pyrimidin-2-yl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 127244608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).