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

C19H22N4O — CID 109230309

IUPAC2,3-dihydroindol-1-yl-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]methanone
SMILESCN1CCN(c2cncc(C(=O)N3CCc4ccccc43)c2)CC1
InChIInChI=1S/C19H22N4O/c1-21-8-10-22(11-9-21)17-12-16(13-20-14-17)19(24)23-7-6-15-4-2-3-5-18(15)23/h2-5,12-14H,6-11H2,1H3
InChIKeyMMAHVHMAMJVAQI-UHFFFAOYSA-N
MW322.41 g/mol
LogP2.04
Rot. Bonds2

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

2,3-dihydroindol-1-yl-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]methanone (PubChem CID 109230309) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is 2,3-dihydroindol-1-yl-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]methanone.

Molecular Properties

Compound Name2,3-dihydroindol-1-yl-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]methanone
PubChem CID109230309
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC Name2,3-dihydroindol-1-yl-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]methanone
SMILESCN1CCN(c2cncc(C(=O)N3CCc4ccccc43)c2)CC1
InChIInChI=1S/C19H22N4O/c1-21-8-10-22(11-9-21)17-12-16(13-20-14-17)19(24)23-7-6-15-4-2-3-5-18(15)23/h2-5,12-14H,6-11H2,1H3
InChIKeyMMAHVHMAMJVAQI-UHFFFAOYSA-N
XLogP2.04
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[5-(2,3-dihydroindole-1-carbonyl)-3-pyridinyl]piperazine-1-carbaldehyde
CID 109230932
3,4-dihydro-2H-quinolin-1-yl-[5-(4-ethylpiperazin-1-yl)-3-pyridinyl]methanone
CID 109230630
2,3-dihydroindol-1-yl-[5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyridinyl]methanone
CID 109238062
[4-(2-fluorophenyl)piperazin-1-yl]-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]methanone
CID 109230282
(4-methylpiperazin-1-yl)-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]methanone
CID 109230061
[5-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-3-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 155561319
2,3-dihydroindol-1-yl-[5-(dipropylamino)-3-pyridinyl]methanone
CID 109241027
[5-(cyclopropylamino)-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone
CID 109223844
2,3-dihydroindol-1-yl-[5-(3,5-dimethylanilino)-3-pyridinyl]methanone
CID 109242381
5-(4-methylpiperazin-1-yl)pyridine-3-carboxylic acid;trihydrochloride
CID 90489074
N-(4-chlorophenyl)-5-(2,3-dihydroindole-1-carbonyl)pyridine-3-carboxamide
CID 109108143
[5-(butan-2-ylamino)-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone
CID 109225396

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroindol-1-yl-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]methanone?
The IUPAC name of 2,3-dihydroindol-1-yl-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]methanone (CID 109230309) is 2,3-dihydroindol-1-yl-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]methanone.
What is the SMILES notation for 2,3-dihydroindol-1-yl-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]methanone?
The canonical SMILES for 2,3-dihydroindol-1-yl-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]methanone is CN1CCN(c2cncc(C(=O)N3CCc4ccccc43)c2)CC1.
What is the InChIKey of 2,3-dihydroindol-1-yl-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]methanone?
The InChIKey is MMAHVHMAMJVAQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c1-21-8-10-22(11-9-21)17-12-16(13-20-14-17)19(24)23-7-6-15-4-2-3-5-18(15)23/h2-5,12-14H,6-11H2,1H3.
What are the key properties of 2,3-dihydroindol-1-yl-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]methanone?
2,3-dihydroindol-1-yl-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]methanone has a molecular weight of 322.41 g/mol, XLogP of 2.04, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroindol-1-yl-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]methanone is sourced from PubChem (CID 109230309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).