2-[3-methyl-5-(1-methyl-1,2,4-triazol-3-yl)indol-1-yl]-1-(4-methylpiperazin-1-yl)ethanone

C19H24N6O — CID 170299562

IUPAC2-[3-methyl-5-(1-methyl-1,2,4-triazol-3-yl)indol-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
SMILESCc1cn(CC(=O)N2CCN(C)CC2)c2ccc(-c3ncn(C)n3)cc12
InChIInChI=1S/C19H24N6O/c1-14-11-25(12-18(26)24-8-6-22(2)7-9-24)17-5-4-15(10-16(14)17)19-20-13-23(3)21-19/h4-5,10-11,13H,6-9,12H2,1-3H3
InChIKeyNDQTYTABEJKGEK-UHFFFAOYSA-N
MW352.44 g/mol
LogP1.52
Rot. Bonds3

About 2-[3-methyl-5-(1-methyl-1,2,4-triazol-3-yl)indol-1-yl]-1-(4-methylpiperazin-1-yl)ethanone

2-[3-methyl-5-(1-methyl-1,2,4-triazol-3-yl)indol-1-yl]-1-(4-methylpiperazin-1-yl)ethanone (PubChem CID 170299562) has the molecular formula C19H24N6O and a molecular weight of 352.44 g/mol. Its IUPAC name is 2-[3-methyl-5-(1-methyl-1,2,4-triazol-3-yl)indol-1-yl]-1-(4-methylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-[3-methyl-5-(1-methyl-1,2,4-triazol-3-yl)indol-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
PubChem CID170299562
Molecular FormulaC19H24N6O
Molecular Weight352.44 g/mol
Exact Mass352.20
IUPAC Name2-[3-methyl-5-(1-methyl-1,2,4-triazol-3-yl)indol-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
SMILESCc1cn(CC(=O)N2CCN(C)CC2)c2ccc(-c3ncn(C)n3)cc12
InChIInChI=1S/C19H24N6O/c1-14-11-25(12-18(26)24-8-6-22(2)7-9-24)17-5-4-15(10-16(14)17)19-20-13-23(3)21-19/h4-5,10-11,13H,6-9,12H2,1-3H3
InChIKeyNDQTYTABEJKGEK-UHFFFAOYSA-N
XLogP1.52
TPSA59.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-iodo-5-(1-methyl-1,2,4-triazol-3-yl)indol-1-yl]-1-pyrrolidin-1-ylethanone
CID 137376170
2-(5-bromo-3-methylindol-1-yl)-1-pyrrolidin-1-ylethanone
CID 59397812
1-(4-methylpiperazin-1-yl)-2-[5-methyl-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)indol-1-yl]ethanone
CID 20784415
2-(3-methylindol-1-yl)-1-piperidin-1-ylethanone
CID 49371096
N'-(methyliminomethyl)-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-3-propan-2-ylindole-5-carboximidamide
CID 145364265
2-[3-(aminomethyl)indol-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 66409685
N,N-dimethyl-2-[3-methyl-5-[1-[(6-methyl-2-pyridinyl)methyl]-1,2,4-triazol-3-yl]indol-1-yl]acetamide
CID 170299597
2-(6-methylindol-1-yl)-1-(4-methylpiperazin-1-yl)ethanone
CID 116546775
ethane;1-(4-methylpiperazin-1-yl)-2-(2-methylpyrrolo[2,3-d]pyrimidin-7-yl)ethanone
CID 144655013
1-butyl-3-methylindole-5-carboxylic acid
CID 83946820
3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 103483835
3-methyl-1-propylindole-5-carboxylic acid
CID 83945011

Frequently Asked Questions

What is the IUPAC name of 2-[3-methyl-5-(1-methyl-1,2,4-triazol-3-yl)indol-1-yl]-1-(4-methylpiperazin-1-yl)ethanone?
The IUPAC name of 2-[3-methyl-5-(1-methyl-1,2,4-triazol-3-yl)indol-1-yl]-1-(4-methylpiperazin-1-yl)ethanone (CID 170299562) is 2-[3-methyl-5-(1-methyl-1,2,4-triazol-3-yl)indol-1-yl]-1-(4-methylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-[3-methyl-5-(1-methyl-1,2,4-triazol-3-yl)indol-1-yl]-1-(4-methylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-[3-methyl-5-(1-methyl-1,2,4-triazol-3-yl)indol-1-yl]-1-(4-methylpiperazin-1-yl)ethanone is Cc1cn(CC(=O)N2CCN(C)CC2)c2ccc(-c3ncn(C)n3)cc12.
What is the InChIKey of 2-[3-methyl-5-(1-methyl-1,2,4-triazol-3-yl)indol-1-yl]-1-(4-methylpiperazin-1-yl)ethanone?
The InChIKey is NDQTYTABEJKGEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O/c1-14-11-25(12-18(26)24-8-6-22(2)7-9-24)17-5-4-15(10-16(14)17)19-20-13-23(3)21-19/h4-5,10-11,13H,6-9,12H2,1-3H3.
What are the key properties of 2-[3-methyl-5-(1-methyl-1,2,4-triazol-3-yl)indol-1-yl]-1-(4-methylpiperazin-1-yl)ethanone?
2-[3-methyl-5-(1-methyl-1,2,4-triazol-3-yl)indol-1-yl]-1-(4-methylpiperazin-1-yl)ethanone has a molecular weight of 352.44 g/mol, XLogP of 1.52, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methyl-5-(1-methyl-1,2,4-triazol-3-yl)indol-1-yl]-1-(4-methylpiperazin-1-yl)ethanone is sourced from PubChem (CID 170299562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).