2,3-dihydroindol-1-yl-[4-(4-pyridin-2-ylpiperazin-1-yl)-2-pyridinyl]methanone

C23H23N5O — CID 109216263

IUPAC2,3-dihydroindol-1-yl-[4-(4-pyridin-2-ylpiperazin-1-yl)-2-pyridinyl]methanone
SMILESO=C(c1cc(N2CCN(c3ccccn3)CC2)ccn1)N1CCc2ccccc21
InChIInChI=1S/C23H23N5O/c29-23(28-12-9-18-5-1-2-6-21(18)28)20-17-19(8-11-24-20)26-13-15-27(16-14-26)22-7-3-4-10-25-22/h1-8,10-11,17H,9,12-16H2
InChIKeyJONCPLAJCXPWOD-UHFFFAOYSA-N
MW385.47 g/mol
LogP3.01
Rot. Bonds3

About 2,3-dihydroindol-1-yl-[4-(4-pyridin-2-ylpiperazin-1-yl)-2-pyridinyl]methanone

2,3-dihydroindol-1-yl-[4-(4-pyridin-2-ylpiperazin-1-yl)-2-pyridinyl]methanone (PubChem CID 109216263) has the molecular formula C23H23N5O and a molecular weight of 385.47 g/mol. Its IUPAC name is 2,3-dihydroindol-1-yl-[4-(4-pyridin-2-ylpiperazin-1-yl)-2-pyridinyl]methanone.

Molecular Properties

Compound Name2,3-dihydroindol-1-yl-[4-(4-pyridin-2-ylpiperazin-1-yl)-2-pyridinyl]methanone
PubChem CID109216263
Molecular FormulaC23H23N5O
Molecular Weight385.47 g/mol
Exact Mass385.19
IUPAC Name2,3-dihydroindol-1-yl-[4-(4-pyridin-2-ylpiperazin-1-yl)-2-pyridinyl]methanone
SMILESO=C(c1cc(N2CCN(c3ccccn3)CC2)ccn1)N1CCc2ccccc21
InChIInChI=1S/C23H23N5O/c29-23(28-12-9-18-5-1-2-6-21(18)28)20-17-19(8-11-24-20)26-13-15-27(16-14-26)22-7-3-4-10-25-22/h1-8,10-11,17H,9,12-16H2
InChIKeyJONCPLAJCXPWOD-UHFFFAOYSA-N
XLogP3.01
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2,3-dihydroindol-1-yl-(4-hydrazinyl-2-pyridinyl)methanone
CID 62249581
[4-(4-pyridin-2-ylpiperazin-1-yl)-2-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109203677
(4-pyridin-2-ylpiperazin-1-yl)-(4-pyrrolidin-1-yl-2-pyridinyl)methanone
CID 109203865
2,3-dihydroindol-1-yl-[5-[4-(3-methylphenyl)piperazin-1-yl]pyrazin-2-yl]methanone
CID 109286410
2,3-dihydroindol-1-yl-[4-(propan-2-ylamino)-2-pyridinyl]methanone
CID 109201577
[2-(2,3-dihydroindole-1-carbonyl)-4-pyridinyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 109087851
[2-(3,4-dihydro-2H-quinoline-1-carbonyl)-4-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 109091635
2-(2,3-dihydroindole-1-carbonyl)-N-phenylpyridine-4-carboxamide
CID 109090812
[2-(azepane-1-carbonyl)-4-pyridinyl]-(2,3-dihydroindol-1-yl)methanone
CID 109090729
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 4883425
2,3-dihydroindol-1-yl-[4-(2-methylpropylamino)-2-pyridinyl]methanone
CID 109203131
N-benzyl-4-(4-pyridin-2-ylpiperazin-1-yl)pyridine-2-carboxamide
CID 109209654

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroindol-1-yl-[4-(4-pyridin-2-ylpiperazin-1-yl)-2-pyridinyl]methanone?
The IUPAC name of 2,3-dihydroindol-1-yl-[4-(4-pyridin-2-ylpiperazin-1-yl)-2-pyridinyl]methanone (CID 109216263) is 2,3-dihydroindol-1-yl-[4-(4-pyridin-2-ylpiperazin-1-yl)-2-pyridinyl]methanone.
What is the SMILES notation for 2,3-dihydroindol-1-yl-[4-(4-pyridin-2-ylpiperazin-1-yl)-2-pyridinyl]methanone?
The canonical SMILES for 2,3-dihydroindol-1-yl-[4-(4-pyridin-2-ylpiperazin-1-yl)-2-pyridinyl]methanone is O=C(c1cc(N2CCN(c3ccccn3)CC2)ccn1)N1CCc2ccccc21.
What is the InChIKey of 2,3-dihydroindol-1-yl-[4-(4-pyridin-2-ylpiperazin-1-yl)-2-pyridinyl]methanone?
The InChIKey is JONCPLAJCXPWOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O/c29-23(28-12-9-18-5-1-2-6-21(18)28)20-17-19(8-11-24-20)26-13-15-27(16-14-26)22-7-3-4-10-25-22/h1-8,10-11,17H,9,12-16H2.
What are the key properties of 2,3-dihydroindol-1-yl-[4-(4-pyridin-2-ylpiperazin-1-yl)-2-pyridinyl]methanone?
2,3-dihydroindol-1-yl-[4-(4-pyridin-2-ylpiperazin-1-yl)-2-pyridinyl]methanone has a molecular weight of 385.47 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroindol-1-yl-[4-(4-pyridin-2-ylpiperazin-1-yl)-2-pyridinyl]methanone is sourced from PubChem (CID 109216263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).