2-methyl-1-[4-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-yl]-2,3-dihydroindole

C23H26N6 — CID 112923882

IUPAC2-methyl-1-[4-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-yl]-2,3-dihydroindole
SMILESCc1cc(N2CCN(c3ccccn3)CC2)nc(N2c3ccccc3CC2C)n1
InChIInChI=1S/C23H26N6/c1-17-15-22(28-13-11-27(12-14-28)21-9-5-6-10-24-21)26-23(25-17)29-18(2)16-19-7-3-4-8-20(19)29/h3-10,15,18H,11-14,16H2,1-2H3
InChIKeyBLBINBQMUQZFLS-UHFFFAOYSA-N
MW386.50 g/mol
LogP3.59
Rot. Bonds3

About 2-methyl-1-[4-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-yl]-2,3-dihydroindole

2-methyl-1-[4-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-yl]-2,3-dihydroindole (PubChem CID 112923882) has the molecular formula C23H26N6 and a molecular weight of 386.50 g/mol. Its IUPAC name is 2-methyl-1-[4-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-yl]-2,3-dihydroindole.

Molecular Properties

Compound Name2-methyl-1-[4-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-yl]-2,3-dihydroindole
PubChem CID112923882
Molecular FormulaC23H26N6
Molecular Weight386.50 g/mol
Exact Mass386.22
IUPAC Name2-methyl-1-[4-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-yl]-2,3-dihydroindole
SMILESCc1cc(N2CCN(c3ccccn3)CC2)nc(N2c3ccccc3CC2C)n1
InChIInChI=1S/C23H26N6/c1-17-15-22(28-13-11-27(12-14-28)21-9-5-6-10-24-21)26-23(25-17)29-18(2)16-19-7-3-4-8-20(19)29/h3-10,15,18H,11-14,16H2,1-2H3
InChIKeyBLBINBQMUQZFLS-UHFFFAOYSA-N
XLogP3.59
TPSA48.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-methyl-1-[4-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-yl]-2,3-dihydroindole with MolForge

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Related Compounds

2-methyl-1-[4-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-yl]-2,3-dihydroindole
CID 112898809
2-methyl-1-[2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-yl]-2,3-dihydroindole
CID 112899050
4-[4-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-yl]morpholine
CID 112912286
4-methyl-6-(3-methylpiperidin-1-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine
CID 112923898
1-[6-(azepan-1-yl)-2-methylpyrimidin-4-yl]-2-methyl-2,3-dihydroindole
CID 112876835
8-[6-methyl-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 112922838
N-(3,5-dimethylphenyl)-6-methyl-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-amine
CID 112928303
2-methyl-1-(6-piperidin-1-ylpyrimidin-4-yl)-2,3-dihydroindole
CID 112856161
8-[2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 112897459
N-cyclopropyl-4-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine
CID 112907588
4-[4-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-2-yl]morpholine
CID 112886644
2-(2-methyl-2,3-dihydroindol-1-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 46555829

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[4-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-yl]-2,3-dihydroindole?
The IUPAC name of 2-methyl-1-[4-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-yl]-2,3-dihydroindole (CID 112923882) is 2-methyl-1-[4-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-yl]-2,3-dihydroindole.
What is the SMILES notation for 2-methyl-1-[4-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-yl]-2,3-dihydroindole?
The canonical SMILES for 2-methyl-1-[4-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-yl]-2,3-dihydroindole is Cc1cc(N2CCN(c3ccccn3)CC2)nc(N2c3ccccc3CC2C)n1.
What is the InChIKey of 2-methyl-1-[4-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-yl]-2,3-dihydroindole?
The InChIKey is BLBINBQMUQZFLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6/c1-17-15-22(28-13-11-27(12-14-28)21-9-5-6-10-24-21)26-23(25-17)29-18(2)16-19-7-3-4-8-20(19)29/h3-10,15,18H,11-14,16H2,1-2H3.
What are the key properties of 2-methyl-1-[4-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-yl]-2,3-dihydroindole?
2-methyl-1-[4-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-yl]-2,3-dihydroindole has a molecular weight of 386.50 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[4-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-yl]-2,3-dihydroindole is sourced from PubChem (CID 112923882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).