2-[7-[[7-(2-methoxyphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]-3,4-dihydro-1H-isoquinolin-2-yl]acetamide

C24H24N6O2 — CID 66712389

IUPAC2-[7-[[7-(2-methoxyphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]-3,4-dihydro-1H-isoquinolin-2-yl]acetamide
SMILESCOc1ccccc1-c1ccc2cnc(Nc3ccc4c(c3)CN(CC(N)=O)CC4)nn12
InChIInChI=1S/C24H24N6O2/c1-32-22-5-3-2-4-20(22)21-9-8-19-13-26-24(28-30(19)21)27-18-7-6-16-10-11-29(15-23(25)31)14-17(16)12-18/h2-9,12-13H,10-11,14-15H2,1H3,(H2,25,31)(H,27,28)
InChIKeyUECIEWUDRAWVRZ-UHFFFAOYSA-N
MW428.50 g/mol
LogP2.99
Rot. Bonds6

About 2-[7-[[7-(2-methoxyphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]-3,4-dihydro-1H-isoquinolin-2-yl]acetamide

2-[7-[[7-(2-methoxyphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]-3,4-dihydro-1H-isoquinolin-2-yl]acetamide (PubChem CID 66712389) has the molecular formula C24H24N6O2 and a molecular weight of 428.50 g/mol. Its IUPAC name is 2-[7-[[7-(2-methoxyphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]-3,4-dihydro-1H-isoquinolin-2-yl]acetamide.

Molecular Properties

Compound Name2-[7-[[7-(2-methoxyphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]-3,4-dihydro-1H-isoquinolin-2-yl]acetamide
PubChem CID66712389
Molecular FormulaC24H24N6O2
Molecular Weight428.50 g/mol
Exact Mass428.20
IUPAC Name2-[7-[[7-(2-methoxyphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]-3,4-dihydro-1H-isoquinolin-2-yl]acetamide
SMILESCOc1ccccc1-c1ccc2cnc(Nc3ccc4c(c3)CN(CC(N)=O)CC4)nn12
InChIInChI=1S/C24H24N6O2/c1-32-22-5-3-2-4-20(22)21-9-8-19-13-26-24(28-30(19)21)27-18-7-6-16-10-11-29(15-23(25)31)14-17(16)12-18/h2-9,12-13H,10-11,14-15H2,1H3,(H2,25,31)(H,27,28)
InChIKeyUECIEWUDRAWVRZ-UHFFFAOYSA-N
XLogP2.99
TPSA97.78 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.50
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[6-[[7-[2-(methylsulfonylmethylamino)phenyl]pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]-3,4-dihydro-1H-isoquinolin-2-yl]acetamide
CID 66711508
2-[4-cyano-4-[4-[[7-(2-methoxyphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]phenyl]piperidin-1-yl]acetamide
CID 66711909
N-[7-(2-methoxyphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]-1-methyl-3,4-dihydro-2H-quinolin-7-amine
CID 66712095
7-(2-methoxyphenyl)-N-(4-methoxyphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine
CID 57402936
7-(2-methoxyphenyl)-N-[3-(2-morpholin-4-ylethyl)benzimidazol-5-yl]pyrrolo[2,1-f][1,2,4]triazin-2-amine
CID 66712598
N-[7-(2-methoxyphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]-1-methyl-3,4-dihydro-2H-quinolin-7-amine;[7-(2-methoxyphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl] trifluoromethanesulfonate
CID 87399754
3-[[7-(5-chloro-2-methoxyphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]benzamide
CID 66710717
2-[3-[[7-(2-methoxyphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]pyrazol-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 66712519
N-(3-fluoro-4-morpholin-4-ylphenyl)-7-(2-methoxyphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine
CID 66710818
2-[2-[2-[4-(4-methylpiperazin-1-yl)anilino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]phenoxy]acetic acid
CID 66712091
2-[4-[4-[[7-(2,6-dimethoxy-3-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]phenyl]piperidin-1-yl]acetamide
CID 66710887
2-[4-[4-[[7-(2-methylsulfanyl-1,3-dihydroisoindol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]phenyl]piperidin-1-yl]acetamide
CID 142362638

Frequently Asked Questions

What is the IUPAC name of 2-[7-[[7-(2-methoxyphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]-3,4-dihydro-1H-isoquinolin-2-yl]acetamide?
The IUPAC name of 2-[7-[[7-(2-methoxyphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]-3,4-dihydro-1H-isoquinolin-2-yl]acetamide (CID 66712389) is 2-[7-[[7-(2-methoxyphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]-3,4-dihydro-1H-isoquinolin-2-yl]acetamide.
What is the SMILES notation for 2-[7-[[7-(2-methoxyphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]-3,4-dihydro-1H-isoquinolin-2-yl]acetamide?
The canonical SMILES for 2-[7-[[7-(2-methoxyphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]-3,4-dihydro-1H-isoquinolin-2-yl]acetamide is COc1ccccc1-c1ccc2cnc(Nc3ccc4c(c3)CN(CC(N)=O)CC4)nn12.
What is the InChIKey of 2-[7-[[7-(2-methoxyphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]-3,4-dihydro-1H-isoquinolin-2-yl]acetamide?
The InChIKey is UECIEWUDRAWVRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O2/c1-32-22-5-3-2-4-20(22)21-9-8-19-13-26-24(28-30(19)21)27-18-7-6-16-10-11-29(15-23(25)31)14-17(16)12-18/h2-9,12-13H,10-11,14-15H2,1H3,(H2,25,31)(H,27,28).
What are the key properties of 2-[7-[[7-(2-methoxyphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]-3,4-dihydro-1H-isoquinolin-2-yl]acetamide?
2-[7-[[7-(2-methoxyphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]-3,4-dihydro-1H-isoquinolin-2-yl]acetamide has a molecular weight of 428.50 g/mol, XLogP of 2.99, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-[[7-(2-methoxyphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]-3,4-dihydro-1H-isoquinolin-2-yl]acetamide is sourced from PubChem (CID 66712389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).