[2-(2,3-dihydroindol-1-yl)-4-pyridinyl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone

C20H24N4O2 — CID 84574277

IUPAC[2-(2,3-dihydroindol-1-yl)-4-pyridinyl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
SMILESO=C(c1ccnc(N2CCc3ccccc32)c1)N1CCN(CCO)CC1
InChIInChI=1S/C20H24N4O2/c25-14-13-22-9-11-23(12-10-22)20(26)17-5-7-21-19(15-17)24-8-6-16-3-1-2-4-18(16)24/h1-5,7,15,25H,6,8-14H2
InChIKeyVBHSVYXSWLLFFJ-UHFFFAOYSA-N
MW352.44 g/mol
LogP1.53
Rot. Bonds4

About [2-(2,3-dihydroindol-1-yl)-4-pyridinyl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone

[2-(2,3-dihydroindol-1-yl)-4-pyridinyl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone (PubChem CID 84574277) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is [2-(2,3-dihydroindol-1-yl)-4-pyridinyl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[2-(2,3-dihydroindol-1-yl)-4-pyridinyl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
PubChem CID84574277
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name[2-(2,3-dihydroindol-1-yl)-4-pyridinyl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
SMILESO=C(c1ccnc(N2CCc3ccccc32)c1)N1CCN(CCO)CC1
InChIInChI=1S/C20H24N4O2/c25-14-13-22-9-11-23(12-10-22)20(26)17-5-7-21-19(15-17)24-8-6-16-3-1-2-4-18(16)24/h1-5,7,15,25H,6,8-14H2
InChIKeyVBHSVYXSWLLFFJ-UHFFFAOYSA-N
XLogP1.53
TPSA59.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(2,3-dihydroindol-1-yl)-4-pyridinyl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 109173968
[2-(2,3-dihydroindol-1-yl)-4-pyridinyl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 109174375
(2-bromo-4-pyridinyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 103754389
2-(2,3-dihydroindol-1-yl)-N-(2-hydroxypropyl)pyridine-4-carboxamide
CID 84574120
2-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-hydroxyethyl)-N-methylpyridine-4-carboxamide
CID 84574490
[4-(2-hydroxyethyl)piperazin-1-yl]-naphthalen-2-ylmethanone
CID 43390847
(2-fluoro-4-pyridinyl)-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methanone
CID 107216895
(3-aminophenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 43501278
2-(2,3-dihydroindol-1-yl)-N-[2-(4-fluorophenyl)ethyl]pyridine-4-carboxamide
CID 109172612
2-(2,3-dihydroindol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 109176481
1-[4-(chloromethyl)-2-pyridinyl]-2,3-dihydroindole
CID 61256792
[4-(2,3-dihydroindol-1-yl)-2-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109203702

Frequently Asked Questions

What is the IUPAC name of [2-(2,3-dihydroindol-1-yl)-4-pyridinyl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone?
The IUPAC name of [2-(2,3-dihydroindol-1-yl)-4-pyridinyl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone (CID 84574277) is [2-(2,3-dihydroindol-1-yl)-4-pyridinyl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone.
What is the SMILES notation for [2-(2,3-dihydroindol-1-yl)-4-pyridinyl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone?
The canonical SMILES for [2-(2,3-dihydroindol-1-yl)-4-pyridinyl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone is O=C(c1ccnc(N2CCc3ccccc32)c1)N1CCN(CCO)CC1.
What is the InChIKey of [2-(2,3-dihydroindol-1-yl)-4-pyridinyl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone?
The InChIKey is VBHSVYXSWLLFFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c25-14-13-22-9-11-23(12-10-22)20(26)17-5-7-21-19(15-17)24-8-6-16-3-1-2-4-18(16)24/h1-5,7,15,25H,6,8-14H2.
What are the key properties of [2-(2,3-dihydroindol-1-yl)-4-pyridinyl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone?
[2-(2,3-dihydroindol-1-yl)-4-pyridinyl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone has a molecular weight of 352.44 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,3-dihydroindol-1-yl)-4-pyridinyl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 84574277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).