[5-(2,3-dihydroindol-1-yl)-3-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

C22H22N6O — CID 109238689

IUPAC[5-(2,3-dihydroindol-1-yl)-3-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1cncc(N2CCc3ccccc32)c1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C22H22N6O/c29-21(26-10-12-27(13-11-26)22-24-7-3-8-25-22)18-14-19(16-23-15-18)28-9-6-17-4-1-2-5-20(17)28/h1-5,7-8,14-16H,6,9-13H2
InChIKeyZPIWOWZVYVKZBW-UHFFFAOYSA-N
MW386.46 g/mol
LogP2.53
Rot. Bonds3

About [5-(2,3-dihydroindol-1-yl)-3-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

[5-(2,3-dihydroindol-1-yl)-3-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (PubChem CID 109238689) has the molecular formula C22H22N6O and a molecular weight of 386.46 g/mol. Its IUPAC name is [5-(2,3-dihydroindol-1-yl)-3-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[5-(2,3-dihydroindol-1-yl)-3-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
PubChem CID109238689
Molecular FormulaC22H22N6O
Molecular Weight386.46 g/mol
Exact Mass386.19
IUPAC Name[5-(2,3-dihydroindol-1-yl)-3-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1cncc(N2CCc3ccccc32)c1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C22H22N6O/c29-21(26-10-12-27(13-11-26)22-24-7-3-8-25-22)18-14-19(16-23-15-18)28-9-6-17-4-1-2-5-20(17)28/h1-5,7-8,14-16H,6,9-13H2
InChIKeyZPIWOWZVYVKZBW-UHFFFAOYSA-N
XLogP2.53
TPSA65.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [5-(2,3-dihydroindol-1-yl)-3-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone with MolForge

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Related Compounds

(4-ethylpiperazin-1-yl)-[5-(4-pyrimidin-2-ylpiperazin-1-yl)-3-pyridinyl]methanone
CID 109230456
(4-methylpiperidin-1-yl)-[5-(4-pyrimidin-2-ylpiperazin-1-yl)-3-pyridinyl]methanone
CID 109227055
5-(2,3-dihydroindol-1-yl)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 109235536
2,3-dihydroindol-1-yl-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]methanone
CID 109230309
[5-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109225533
N-(4-chlorophenyl)-5-(2,3-dihydroindol-1-yl)pyridine-3-carboxamide
CID 109242479
3,4-dihydro-1H-isoquinolin-2-yl-[5-(4-phenylpiperazin-1-yl)-3-pyridinyl]methanone
CID 109236023
[4-(2-fluorophenyl)piperazin-1-yl]-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]methanone
CID 109230282
4-[5-(2,3-dihydroindole-1-carbonyl)-3-pyridinyl]piperazine-1-carbaldehyde
CID 109230932
N-(3-acetamidophenyl)-5-(2,3-dihydroindol-1-yl)pyridine-3-carboxamide
CID 109242505
[2-(2,3-dihydroindol-1-yl)-4-pyridinyl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 109174375
[4-(2,3-dihydroindol-1-yl)-2-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109203702

Frequently Asked Questions

What is the IUPAC name of [5-(2,3-dihydroindol-1-yl)-3-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [5-(2,3-dihydroindol-1-yl)-3-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (CID 109238689) is [5-(2,3-dihydroindol-1-yl)-3-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [5-(2,3-dihydroindol-1-yl)-3-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [5-(2,3-dihydroindol-1-yl)-3-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is O=C(c1cncc(N2CCc3ccccc32)c1)N1CCN(c2ncccn2)CC1.
What is the InChIKey of [5-(2,3-dihydroindol-1-yl)-3-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The InChIKey is ZPIWOWZVYVKZBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O/c29-21(26-10-12-27(13-11-26)22-24-7-3-8-25-22)18-14-19(16-23-15-18)28-9-6-17-4-1-2-5-20(17)28/h1-5,7-8,14-16H,6,9-13H2.
What are the key properties of [5-(2,3-dihydroindol-1-yl)-3-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
[5-(2,3-dihydroindol-1-yl)-3-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone has a molecular weight of 386.46 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,3-dihydroindol-1-yl)-3-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 109238689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).