2,3-dihydroindol-1-yl-[1-(7H-purin-6-yl)piperidin-4-yl]methanone

C19H20N6O — CID 172892648

IUPAC2,3-dihydroindol-1-yl-[1-(7H-purin-6-yl)piperidin-4-yl]methanone
SMILESO=C(C1CCN(c2ncnc3nc[nH]c23)CC1)N1CCc2ccccc21
InChIInChI=1S/C19H20N6O/c26-19(25-10-7-13-3-1-2-4-15(13)25)14-5-8-24(9-6-14)18-16-17(21-11-20-16)22-12-23-18/h1-4,11-12,14H,5-10H2,(H,20,21,22,23)
InChIKeyHTYIZCATPXASRR-UHFFFAOYSA-N
MW348.41 g/mol
LogP2.16
Rot. Bonds2

About 2,3-dihydroindol-1-yl-[1-(7H-purin-6-yl)piperidin-4-yl]methanone

2,3-dihydroindol-1-yl-[1-(7H-purin-6-yl)piperidin-4-yl]methanone (PubChem CID 172892648) has the molecular formula C19H20N6O and a molecular weight of 348.41 g/mol. Its IUPAC name is 2,3-dihydroindol-1-yl-[1-(7H-purin-6-yl)piperidin-4-yl]methanone.

Molecular Properties

Compound Name2,3-dihydroindol-1-yl-[1-(7H-purin-6-yl)piperidin-4-yl]methanone
PubChem CID172892648
Molecular FormulaC19H20N6O
Molecular Weight348.41 g/mol
Exact Mass348.17
IUPAC Name2,3-dihydroindol-1-yl-[1-(7H-purin-6-yl)piperidin-4-yl]methanone
SMILESO=C(C1CCN(c2ncnc3nc[nH]c23)CC1)N1CCc2ccccc21
InChIInChI=1S/C19H20N6O/c26-19(25-10-7-13-3-1-2-4-15(13)25)14-5-8-24(9-6-14)18-16-17(21-11-20-16)22-12-23-18/h1-4,11-12,14H,5-10H2,(H,20,21,22,23)
InChIKeyHTYIZCATPXASRR-UHFFFAOYSA-N
XLogP2.16
TPSA78.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,3-dihydroindol-1-yl-[1-(7H-purin-6-yl)pyrrolidin-3-yl]methanone
CID 172903825
[1-(3-chloro-2-pyridinyl)piperidin-4-yl]-(2,3-dihydroindol-1-yl)methanone
CID 172902388
2,3-dihydroindol-1-yl-[1-(6-piperidin-1-ylpyrimidin-4-yl)piperidin-4-yl]methanone
CID 133298996
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
3-[4-(2,3-dihydroindole-1-carbonyl)piperidin-1-yl]-1-methylpyrazin-2-one
CID 172891401
cyclopropyl-[4-(7H-purin-6-yl)-1,4-diazepan-1-yl]methanone
CID 133499116
cyclopropyl-[4-(2,3-dihydroindole-1-carbonyl)piperidin-1-yl]methanone
CID 26290467
N-(5-chloro-2-pyridinyl)-1-(7H-purin-6-yl)piperidine-4-carboxamide
CID 47066466
3,4-dihydro-2H-quinolin-1-yl-[1-(7,8,9,10-tetrahydro-6H-purino[9,8-a]azepin-4-yl)piperidin-4-yl]methanone
CID 20912573
2,3-dihydroindol-1-yl-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]methanone
CID 172901505
2-(7H-purin-6-yl)-3,4-dihydro-1H-isoquinolin-4-ol
CID 70753701

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroindol-1-yl-[1-(7H-purin-6-yl)piperidin-4-yl]methanone?
The IUPAC name of 2,3-dihydroindol-1-yl-[1-(7H-purin-6-yl)piperidin-4-yl]methanone (CID 172892648) is 2,3-dihydroindol-1-yl-[1-(7H-purin-6-yl)piperidin-4-yl]methanone.
What is the SMILES notation for 2,3-dihydroindol-1-yl-[1-(7H-purin-6-yl)piperidin-4-yl]methanone?
The canonical SMILES for 2,3-dihydroindol-1-yl-[1-(7H-purin-6-yl)piperidin-4-yl]methanone is O=C(C1CCN(c2ncnc3nc[nH]c23)CC1)N1CCc2ccccc21.
What is the InChIKey of 2,3-dihydroindol-1-yl-[1-(7H-purin-6-yl)piperidin-4-yl]methanone?
The InChIKey is HTYIZCATPXASRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O/c26-19(25-10-7-13-3-1-2-4-15(13)25)14-5-8-24(9-6-14)18-16-17(21-11-20-16)22-12-23-18/h1-4,11-12,14H,5-10H2,(H,20,21,22,23).
What are the key properties of 2,3-dihydroindol-1-yl-[1-(7H-purin-6-yl)piperidin-4-yl]methanone?
2,3-dihydroindol-1-yl-[1-(7H-purin-6-yl)piperidin-4-yl]methanone has a molecular weight of 348.41 g/mol, XLogP of 2.16, 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)piperidin-4-yl]methanone is sourced from PubChem (CID 172892648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).