[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-piperazin-1-ylmethanone

C23H28N4O — CID 150088835

IUPAC[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-piperazin-1-ylmethanone
SMILESCc1cc(-c2[nH]c3ccc(C(=O)N4CCNCC4)cc3c2C(C)C)cc(C)n1
InChIInChI=1S/C23H28N4O/c1-14(2)21-19-13-17(23(28)27-9-7-24-8-10-27)5-6-20(19)26-22(21)18-11-15(3)25-16(4)12-18/h5-6,11-14,24,26H,7-10H2,1-4H3
InChIKeyDSUIZBQVSBICCS-UHFFFAOYSA-N
MW376.50 g/mol
LogP4.02
Rot. Bonds3

About [2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-piperazin-1-ylmethanone

[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-piperazin-1-ylmethanone (PubChem CID 150088835) has the molecular formula C23H28N4O and a molecular weight of 376.50 g/mol. Its IUPAC name is [2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-piperazin-1-ylmethanone.

Molecular Properties

Compound Name[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-piperazin-1-ylmethanone
PubChem CID150088835
Molecular FormulaC23H28N4O
Molecular Weight376.50 g/mol
Exact Mass376.23
IUPAC Name[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-piperazin-1-ylmethanone
SMILESCc1cc(-c2[nH]c3ccc(C(=O)N4CCNCC4)cc3c2C(C)C)cc(C)n1
InChIInChI=1S/C23H28N4O/c1-14(2)21-19-13-17(23(28)27-9-7-24-8-10-27)5-6-20(19)26-22(21)18-11-15(3)25-16(4)12-18/h5-6,11-14,24,26H,7-10H2,1-4H3
InChIKeyDSUIZBQVSBICCS-UHFFFAOYSA-N
XLogP4.02
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-piperazin-1-ylmethanone with MolForge

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Related Compounds

8-[5-(piperazine-1-carbonyl)-3-propan-2-yl-1H-indol-2-yl]-2,3-dihydro-1H-indolizin-5-one
CID 164521060
1,4-diazepan-1-yl-[5-(2,6-dimethyl-4-pyridinyl)-6-propan-2-yl-4H-thieno[3,2-b]pyrrol-2-yl]methanone
CID 164876532
[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-pyrrolidin-3-ylmethanone
CID 134329407
(3,5-dimethyl-1H-pyrazol-4-yl)-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]methanone
CID 134329486
4-[2-(2-chloro-6-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidine-1-carboxylic acid
CID 146575365
2-[cyclopropyl(methyl)amino]-1-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]ethanone
CID 134329487
3-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidine-1-carbonyl]quinolizin-4-one
CID 134330175
2-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-N,N-di(propan-2-yl)acetamide
CID 134329464
1-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-[(1-methylcyclopropyl)methylamino]ethanone
CID 134329917
1-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-[(2-hydroxy-2-methylpropyl)amino]ethanone
CID 134330047
tert-butyl 4-[2-(2-chloro-6-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidine-1-carboxylate
CID 134329777
1-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-[(3R)-3-hydroxypyrrolidin-1-yl]ethanone
CID 134330087

Frequently Asked Questions

What is the IUPAC name of [2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-piperazin-1-ylmethanone?
The IUPAC name of [2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-piperazin-1-ylmethanone (CID 150088835) is [2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-piperazin-1-ylmethanone.
What is the SMILES notation for [2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-piperazin-1-ylmethanone?
The canonical SMILES for [2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-piperazin-1-ylmethanone is Cc1cc(-c2[nH]c3ccc(C(=O)N4CCNCC4)cc3c2C(C)C)cc(C)n1.
What is the InChIKey of [2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-piperazin-1-ylmethanone?
The InChIKey is DSUIZBQVSBICCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O/c1-14(2)21-19-13-17(23(28)27-9-7-24-8-10-27)5-6-20(19)26-22(21)18-11-15(3)25-16(4)12-18/h5-6,11-14,24,26H,7-10H2,1-4H3.
What are the key properties of [2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-piperazin-1-ylmethanone?
[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-piperazin-1-ylmethanone has a molecular weight of 376.50 g/mol, XLogP of 4.02, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-piperazin-1-ylmethanone is sourced from PubChem (CID 150088835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).