7-(3-methoxyphenyl)sulfonyl-N-[2-(4-methylpiperazin-1-yl)phenyl]pyrrolo[2,1-f][1,2,4]triazin-2-amine

C24H26N6O3S — CID 175600119

IUPAC7-(3-methoxyphenyl)sulfonyl-N-[2-(4-methylpiperazin-1-yl)phenyl]pyrrolo[2,1-f][1,2,4]triazin-2-amine
SMILESCOc1cccc(S(=O)(=O)c2ccc3cnc(Nc4ccccc4N4CCN(C)CC4)nn23)c1
InChIInChI=1S/C24H26N6O3S/c1-28-12-14-29(15-13-28)22-9-4-3-8-21(22)26-24-25-17-18-10-11-23(30(18)27-24)34(31,32)20-7-5-6-19(16-20)33-2/h3-11,16-17H,12-15H2,1-2H3,(H,26,27)
InChIKeyDYAYCHXZJOMYJP-UHFFFAOYSA-N
MW478.58 g/mol
LogP3.07
Rot. Bonds6

About 7-(3-methoxyphenyl)sulfonyl-N-[2-(4-methylpiperazin-1-yl)phenyl]pyrrolo[2,1-f][1,2,4]triazin-2-amine

7-(3-methoxyphenyl)sulfonyl-N-[2-(4-methylpiperazin-1-yl)phenyl]pyrrolo[2,1-f][1,2,4]triazin-2-amine (PubChem CID 175600119) has the molecular formula C24H26N6O3S and a molecular weight of 478.58 g/mol. Its IUPAC name is 7-(3-methoxyphenyl)sulfonyl-N-[2-(4-methylpiperazin-1-yl)phenyl]pyrrolo[2,1-f][1,2,4]triazin-2-amine.

Molecular Properties

Compound Name7-(3-methoxyphenyl)sulfonyl-N-[2-(4-methylpiperazin-1-yl)phenyl]pyrrolo[2,1-f][1,2,4]triazin-2-amine
PubChem CID175600119
Molecular FormulaC24H26N6O3S
Molecular Weight478.58 g/mol
Exact Mass478.18
IUPAC Name7-(3-methoxyphenyl)sulfonyl-N-[2-(4-methylpiperazin-1-yl)phenyl]pyrrolo[2,1-f][1,2,4]triazin-2-amine
SMILESCOc1cccc(S(=O)(=O)c2ccc3cnc(Nc4ccccc4N4CCN(C)CC4)nn23)c1
InChIInChI=1S/C24H26N6O3S/c1-28-12-14-29(15-13-28)22-9-4-3-8-21(22)26-24-25-17-18-10-11-23(30(18)27-24)34(31,32)20-7-5-6-19(16-20)33-2/h3-11,16-17H,12-15H2,1-2H3,(H,26,27)
InChIKeyDYAYCHXZJOMYJP-UHFFFAOYSA-N
XLogP3.07
TPSA92.07 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.58
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]-7-(3-methoxyphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-2-amine
CID 175600138
7-(3-methoxyphenyl)sulfonyl-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrrolo[2,3-d]pyrimidin-2-amine
CID 171352413
2-methyl-N-[2-[2-[4-(4-methylpiperazin-1-yl)anilino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]phenyl]propane-2-sulfonamide
CID 66710853
N-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-7-(4-methylsulfonylphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine
CID 66711917
7-bromo-N-[3-(4-methylpiperazin-1-yl)phenyl]pyrrolo[2,1-f][1,2,4]triazin-2-amine
CID 66711673
N-[2-[2-[2-methoxy-4-(4-methylpiperazine-1-carbonyl)anilino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]phenyl]ethanesulfonamide
CID 67434474
tert-butyl 3-[2-[4-(4-methylpiperazin-1-yl)anilino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]benzoate
CID 66712403
7-(furan-2-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrrolo[2,1-f][1,2,4]triazin-2-amine
CID 67424857
N-[4-(4-methylpiperazin-1-yl)phenyl]-7-phenylpyrrolo[2,1-f][1,2,4]triazin-2-amine
CID 46220497
imino-(3-methoxyphenyl)-methyl-oxo-λ6-sulfane
CID 102433412
N-(3-methoxyphenyl)-[1,2,4]triazino[1,6-a]indol-2-amine
CID 66711124
N-[3-[2-(4-methoxy-3-morpholin-4-ylanilino)pyrrolo[2,1-f][1,2,4]triazin-7-yl]phenyl]methanesulfonamide
CID 66711059

Frequently Asked Questions

What is the IUPAC name of 7-(3-methoxyphenyl)sulfonyl-N-[2-(4-methylpiperazin-1-yl)phenyl]pyrrolo[2,1-f][1,2,4]triazin-2-amine?
The IUPAC name of 7-(3-methoxyphenyl)sulfonyl-N-[2-(4-methylpiperazin-1-yl)phenyl]pyrrolo[2,1-f][1,2,4]triazin-2-amine (CID 175600119) is 7-(3-methoxyphenyl)sulfonyl-N-[2-(4-methylpiperazin-1-yl)phenyl]pyrrolo[2,1-f][1,2,4]triazin-2-amine.
What is the SMILES notation for 7-(3-methoxyphenyl)sulfonyl-N-[2-(4-methylpiperazin-1-yl)phenyl]pyrrolo[2,1-f][1,2,4]triazin-2-amine?
The canonical SMILES for 7-(3-methoxyphenyl)sulfonyl-N-[2-(4-methylpiperazin-1-yl)phenyl]pyrrolo[2,1-f][1,2,4]triazin-2-amine is COc1cccc(S(=O)(=O)c2ccc3cnc(Nc4ccccc4N4CCN(C)CC4)nn23)c1.
What is the InChIKey of 7-(3-methoxyphenyl)sulfonyl-N-[2-(4-methylpiperazin-1-yl)phenyl]pyrrolo[2,1-f][1,2,4]triazin-2-amine?
The InChIKey is DYAYCHXZJOMYJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O3S/c1-28-12-14-29(15-13-28)22-9-4-3-8-21(22)26-24-25-17-18-10-11-23(30(18)27-24)34(31,32)20-7-5-6-19(16-20)33-2/h3-11,16-17H,12-15H2,1-2H3,(H,26,27).
What are the key properties of 7-(3-methoxyphenyl)sulfonyl-N-[2-(4-methylpiperazin-1-yl)phenyl]pyrrolo[2,1-f][1,2,4]triazin-2-amine?
7-(3-methoxyphenyl)sulfonyl-N-[2-(4-methylpiperazin-1-yl)phenyl]pyrrolo[2,1-f][1,2,4]triazin-2-amine has a molecular weight of 478.58 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-methoxyphenyl)sulfonyl-N-[2-(4-methylpiperazin-1-yl)phenyl]pyrrolo[2,1-f][1,2,4]triazin-2-amine is sourced from PubChem (CID 175600119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).