1-[4-[8-methyl-3-[1-(pyrazolo[1,5-a][1,3,5]triazin-4-ylamino)ethyl]quinolin-2-yl]piperazin-1-yl]ethanone

C23H26N8O — CID 67280720

IUPAC1-[4-[8-methyl-3-[1-(pyrazolo[1,5-a][1,3,5]triazin-4-ylamino)ethyl]quinolin-2-yl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2nc3c(C)cccc3cc2C(C)Nc2ncnc3ccnn23)CC1
InChIInChI=1S/C23H26N8O/c1-15-5-4-6-18-13-19(16(2)27-23-25-14-24-20-7-8-26-31(20)23)22(28-21(15)18)30-11-9-29(10-12-30)17(3)32/h4-8,13-14,16H,9-12H2,1-3H3,(H,24,25,27)
InChIKeyHZYYSVBVUKGACV-UHFFFAOYSA-N
MW430.52 g/mol
LogP2.82
Rot. Bonds4

About 1-[4-[8-methyl-3-[1-(pyrazolo[1,5-a][1,3,5]triazin-4-ylamino)ethyl]quinolin-2-yl]piperazin-1-yl]ethanone

1-[4-[8-methyl-3-[1-(pyrazolo[1,5-a][1,3,5]triazin-4-ylamino)ethyl]quinolin-2-yl]piperazin-1-yl]ethanone (PubChem CID 67280720) has the molecular formula C23H26N8O and a molecular weight of 430.52 g/mol. Its IUPAC name is 1-[4-[8-methyl-3-[1-(pyrazolo[1,5-a][1,3,5]triazin-4-ylamino)ethyl]quinolin-2-yl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[8-methyl-3-[1-(pyrazolo[1,5-a][1,3,5]triazin-4-ylamino)ethyl]quinolin-2-yl]piperazin-1-yl]ethanone
PubChem CID67280720
Molecular FormulaC23H26N8O
Molecular Weight430.52 g/mol
Exact Mass430.22
IUPAC Name1-[4-[8-methyl-3-[1-(pyrazolo[1,5-a][1,3,5]triazin-4-ylamino)ethyl]quinolin-2-yl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2nc3c(C)cccc3cc2C(C)Nc2ncnc3ccnn23)CC1
InChIInChI=1S/C23H26N8O/c1-15-5-4-6-18-13-19(16(2)27-23-25-14-24-20-7-8-26-31(20)23)22(28-21(15)18)30-11-9-29(10-12-30)17(3)32/h4-8,13-14,16H,9-12H2,1-3H3,(H,24,25,27)
InChIKeyHZYYSVBVUKGACV-UHFFFAOYSA-N
XLogP2.82
TPSA91.55 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.52
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

1-[4-[3-[1-(pyrazolo[1,5-a]pyrimidin-7-ylamino)ethyl]quinolin-2-yl]piperazin-1-yl]ethanone
CID 67282660
1-[4-[8-chloro-3-[(1S)-1-(pyrrolo[2,1-f][1,2,4]triazin-4-ylamino)ethyl]quinolin-2-yl]piperazin-1-yl]ethanone
CID 52939252
1-[4-[3-[(1S)-1-[(4-amino-6-methyl-1,3,5-triazin-2-yl)amino]ethyl]-8-chloroquinolin-2-yl]piperazin-1-yl]ethanone
CID 46899087
1-[4-[3-[(1S)-1-aminoethyl]-8-chloroquinolin-2-yl]piperazin-1-yl]ethanone
CID 91664415
6-methyl-2-N-[(1S)-1-(8-methyl-2-pyrrolidin-1-ylquinolin-3-yl)ethyl]-1,3,5-triazine-2,4-diamine
CID 46898942
[4-[3-[(1S)-1-[(4-amino-1,3,5-triazin-2-yl)amino]ethyl]-8-chloroquinolin-2-yl]piperazin-1-yl]-cyclopropylmethanone
CID 46898185
tert-butyl N-[(1S)-1-[8-methyl-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]quinolin-3-yl]ethyl]carbamate
CID 140576929
tert-butyl N-[(1S)-1-(8-methyl-2-thiomorpholin-4-ylquinolin-3-yl)ethyl]carbamate
CID 140576921
4-[8-chloro-3-[1-[(2-methylsulfonylpyrazolo[1,5-a][1,3,5]triazin-4-yl)amino]ethyl]quinolin-2-yl]piperazin-2-one
CID 67281457
methyl 4-[3-[(1S)-1-[(4-amino-1,3,5-triazin-2-yl)amino]ethyl]-7-fluoro-8-methylquinolin-2-yl]piperazine-1-carboxylate
CID 46898876
2-[4-[3-[(1S)-1-[(4-amino-1,3,5-triazin-2-yl)amino]ethyl]-8-chloroquinolin-2-yl]piperazin-1-yl]acetic acid
CID 118893593
N-[4-[8-chloro-3-[(1S)-1-(pyrrolo[2,1-f][1,2,4]triazin-4-ylamino)ethyl]quinolin-2-yl]piperazin-1-yl]-N-methylacetamide
CID 52939250

Frequently Asked Questions

What is the IUPAC name of 1-[4-[8-methyl-3-[1-(pyrazolo[1,5-a][1,3,5]triazin-4-ylamino)ethyl]quinolin-2-yl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[8-methyl-3-[1-(pyrazolo[1,5-a][1,3,5]triazin-4-ylamino)ethyl]quinolin-2-yl]piperazin-1-yl]ethanone (CID 67280720) is 1-[4-[8-methyl-3-[1-(pyrazolo[1,5-a][1,3,5]triazin-4-ylamino)ethyl]quinolin-2-yl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[8-methyl-3-[1-(pyrazolo[1,5-a][1,3,5]triazin-4-ylamino)ethyl]quinolin-2-yl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[8-methyl-3-[1-(pyrazolo[1,5-a][1,3,5]triazin-4-ylamino)ethyl]quinolin-2-yl]piperazin-1-yl]ethanone is CC(=O)N1CCN(c2nc3c(C)cccc3cc2C(C)Nc2ncnc3ccnn23)CC1.
What is the InChIKey of 1-[4-[8-methyl-3-[1-(pyrazolo[1,5-a][1,3,5]triazin-4-ylamino)ethyl]quinolin-2-yl]piperazin-1-yl]ethanone?
The InChIKey is HZYYSVBVUKGACV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N8O/c1-15-5-4-6-18-13-19(16(2)27-23-25-14-24-20-7-8-26-31(20)23)22(28-21(15)18)30-11-9-29(10-12-30)17(3)32/h4-8,13-14,16H,9-12H2,1-3H3,(H,24,25,27).
What are the key properties of 1-[4-[8-methyl-3-[1-(pyrazolo[1,5-a][1,3,5]triazin-4-ylamino)ethyl]quinolin-2-yl]piperazin-1-yl]ethanone?
1-[4-[8-methyl-3-[1-(pyrazolo[1,5-a][1,3,5]triazin-4-ylamino)ethyl]quinolin-2-yl]piperazin-1-yl]ethanone has a molecular weight of 430.52 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[8-methyl-3-[1-(pyrazolo[1,5-a][1,3,5]triazin-4-ylamino)ethyl]quinolin-2-yl]piperazin-1-yl]ethanone is sourced from PubChem (CID 67280720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).