2,3-dihydroindol-1-yl-[1-(7H-purin-6-yl)pyrrolidin-3-yl]methanone

C18H18N6O — CID 172903825

IUPAC2,3-dihydroindol-1-yl-[1-(7H-purin-6-yl)pyrrolidin-3-yl]methanone
SMILESO=C(C1CCN(c2ncnc3nc[nH]c23)C1)N1CCc2ccccc21
InChIInChI=1S/C18H18N6O/c25-18(24-8-6-12-3-1-2-4-14(12)24)13-5-7-23(9-13)17-15-16(20-10-19-15)21-11-22-17/h1-4,10-11,13H,5-9H2,(H,19,20,21,22)
InChIKeyJOSANCCFDWOFGC-UHFFFAOYSA-N
MW334.38 g/mol
LogP1.77
Rot. Bonds2

About 2,3-dihydroindol-1-yl-[1-(7H-purin-6-yl)pyrrolidin-3-yl]methanone

2,3-dihydroindol-1-yl-[1-(7H-purin-6-yl)pyrrolidin-3-yl]methanone (PubChem CID 172903825) has the molecular formula C18H18N6O and a molecular weight of 334.38 g/mol. Its IUPAC name is 2,3-dihydroindol-1-yl-[1-(7H-purin-6-yl)pyrrolidin-3-yl]methanone.

Molecular Properties

Compound Name2,3-dihydroindol-1-yl-[1-(7H-purin-6-yl)pyrrolidin-3-yl]methanone
PubChem CID172903825
Molecular FormulaC18H18N6O
Molecular Weight334.38 g/mol
Exact Mass334.15
IUPAC Name2,3-dihydroindol-1-yl-[1-(7H-purin-6-yl)pyrrolidin-3-yl]methanone
SMILESO=C(C1CCN(c2ncnc3nc[nH]c23)C1)N1CCc2ccccc21
InChIInChI=1S/C18H18N6O/c25-18(24-8-6-12-3-1-2-4-14(12)24)13-5-7-23(9-13)17-15-16(20-10-19-15)21-11-22-17/h1-4,10-11,13H,5-9H2,(H,19,20,21,22)
InChIKeyJOSANCCFDWOFGC-UHFFFAOYSA-N
XLogP1.77
TPSA78.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2,3-dihydroindol-1-yl-[1-(7H-purin-6-yl)pyrrolidin-3-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

2,3-dihydroindol-1-yl-[1-(7H-purin-6-yl)piperidin-4-yl]methanone
CID 172892648
[1-(5-chloro-2-pyridinyl)pyrrolidin-3-yl]-(2,3-dihydroindol-1-yl)methanone
CID 172902056
2,3-dihydroindol-1-yl-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]methanone
CID 172901505
2,3-dihydroindol-1-yl-[1-(5-fluoro-2-pyridinyl)pyrrolidin-3-yl]methanone
CID 172901641
2,3-dihydroindol-1-yl-[1-(6-piperidin-1-ylpyrimidin-4-yl)piperidin-4-yl]methanone
CID 133298996
[1-(3-chloro-2-pyridinyl)piperidin-4-yl]-(2,3-dihydroindol-1-yl)methanone
CID 172902388
6-(4-chloropiperidin-1-yl)-7H-purine
CID 63388487
[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]-(2,3-dihydroindol-1-yl)methanone
CID 172891749
2,3-dihydroindol-1-yl-[1-(5,6-dimethylpyridazin-3-yl)pyrrolidin-3-yl]methanone
CID 172901325
N-(5-chloro-2-pyridinyl)-1-(7H-purin-6-yl)piperidine-4-carboxamide
CID 47066466
cyclopropyl-[4-(2,3-dihydroindole-1-carbonyl)piperidin-1-yl]methanone
CID 26290467
3-[4-(2,3-dihydroindole-1-carbonyl)piperidin-1-yl]-1-methylpyrazin-2-one
CID 172891401

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroindol-1-yl-[1-(7H-purin-6-yl)pyrrolidin-3-yl]methanone?
The IUPAC name of 2,3-dihydroindol-1-yl-[1-(7H-purin-6-yl)pyrrolidin-3-yl]methanone (CID 172903825) is 2,3-dihydroindol-1-yl-[1-(7H-purin-6-yl)pyrrolidin-3-yl]methanone.
What is the SMILES notation for 2,3-dihydroindol-1-yl-[1-(7H-purin-6-yl)pyrrolidin-3-yl]methanone?
The canonical SMILES for 2,3-dihydroindol-1-yl-[1-(7H-purin-6-yl)pyrrolidin-3-yl]methanone is O=C(C1CCN(c2ncnc3nc[nH]c23)C1)N1CCc2ccccc21.
What is the InChIKey of 2,3-dihydroindol-1-yl-[1-(7H-purin-6-yl)pyrrolidin-3-yl]methanone?
The InChIKey is JOSANCCFDWOFGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O/c25-18(24-8-6-12-3-1-2-4-14(12)24)13-5-7-23(9-13)17-15-16(20-10-19-15)21-11-22-17/h1-4,10-11,13H,5-9H2,(H,19,20,21,22).
What are the key properties of 2,3-dihydroindol-1-yl-[1-(7H-purin-6-yl)pyrrolidin-3-yl]methanone?
2,3-dihydroindol-1-yl-[1-(7H-purin-6-yl)pyrrolidin-3-yl]methanone has a molecular weight of 334.38 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroindol-1-yl-[1-(7H-purin-6-yl)pyrrolidin-3-yl]methanone is sourced from PubChem (CID 172903825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).