N-methyl-4-[2-(3-morpholin-4-ylanilino)pyrrolo[2,1-f][1,2,4]triazin-7-yl]benzamide

C24H24N6O2 — CID 66711044

IUPACN-methyl-4-[2-(3-morpholin-4-ylanilino)pyrrolo[2,1-f][1,2,4]triazin-7-yl]benzamide
SMILESCNC(=O)c1ccc(-c2ccc3cnc(Nc4cccc(N5CCOCC5)c4)nn23)cc1
InChIInChI=1S/C24H24N6O2/c1-25-23(31)18-7-5-17(6-8-18)22-10-9-21-16-26-24(28-30(21)22)27-19-3-2-4-20(15-19)29-11-13-32-14-12-29/h2-10,15-16H,11-14H2,1H3,(H,25,31)(H,27,28)
InChIKeyVYZOUKYZYVJYKB-UHFFFAOYSA-N
MW428.50 g/mol
LogP3.34
Rot. Bonds5

About N-methyl-4-[2-(3-morpholin-4-ylanilino)pyrrolo[2,1-f][1,2,4]triazin-7-yl]benzamide

N-methyl-4-[2-(3-morpholin-4-ylanilino)pyrrolo[2,1-f][1,2,4]triazin-7-yl]benzamide (PubChem CID 66711044) has the molecular formula C24H24N6O2 and a molecular weight of 428.50 g/mol. Its IUPAC name is N-methyl-4-[2-(3-morpholin-4-ylanilino)pyrrolo[2,1-f][1,2,4]triazin-7-yl]benzamide.

Molecular Properties

Compound NameN-methyl-4-[2-(3-morpholin-4-ylanilino)pyrrolo[2,1-f][1,2,4]triazin-7-yl]benzamide
PubChem CID66711044
Molecular FormulaC24H24N6O2
Molecular Weight428.50 g/mol
Exact Mass428.20
IUPAC NameN-methyl-4-[2-(3-morpholin-4-ylanilino)pyrrolo[2,1-f][1,2,4]triazin-7-yl]benzamide
SMILESCNC(=O)c1ccc(-c2ccc3cnc(Nc4cccc(N5CCOCC5)c4)nn23)cc1
InChIInChI=1S/C24H24N6O2/c1-25-23(31)18-7-5-17(6-8-18)22-10-9-21-16-26-24(28-30(21)22)27-19-3-2-4-20(15-19)29-11-13-32-14-12-29/h2-10,15-16H,11-14H2,1H3,(H,25,31)(H,27,28)
InChIKeyVYZOUKYZYVJYKB-UHFFFAOYSA-N
XLogP3.34
TPSA83.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.50
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(dimethylamino)ethyl]-4-[2-(4-morpholin-4-ylanilino)pyrrolo[2,1-f][1,2,4]triazin-7-yl]benzamide
CID 66711045
7-(2-methoxyphenyl)-N-(3-morpholin-4-ylphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine
CID 57399415
N-(2-methylsulfonylethyl)-4-[2-(4-morpholin-4-ylanilino)pyrrolo[2,1-f][1,2,4]triazin-7-yl]benzamide
CID 66710898
7-[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]-N-(3-morpholin-4-ylphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine
CID 66712599
N-[3-[2-(4-morpholin-4-ylanilino)pyrrolo[2,1-f][1,2,4]triazin-7-yl]phenyl]ethanesulfonamide
CID 91250392
7-(3-methylsulfonylphenyl)-N-(4-morpholin-4-ylphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine
CID 66710786
N-[3-(4-methylpiperazin-1-yl)phenyl]-7-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-2-amine
CID 66711644
4-[2-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]anilino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]-N-methylbenzamide
CID 66711516
[4-[[7-(3-chlorophenyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]phenyl]-morpholin-4-ylmethanone
CID 66711226
2-[4-[3-[[7-(3-chlorophenyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]phenyl]piperazin-1-yl]ethanol
CID 66711825
N-cyclopropyl-3-[2-(4-morpholin-4-ylanilino)pyrrolo[2,1-f][1,2,4]triazin-7-yl]benzenesulfonamide
CID 66711965
7-[3-[(2-methylsulfonylethylamino)methyl]phenyl]-N-(4-morpholin-4-ylphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine
CID 66712724

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[2-(3-morpholin-4-ylanilino)pyrrolo[2,1-f][1,2,4]triazin-7-yl]benzamide?
The IUPAC name of N-methyl-4-[2-(3-morpholin-4-ylanilino)pyrrolo[2,1-f][1,2,4]triazin-7-yl]benzamide (CID 66711044) is N-methyl-4-[2-(3-morpholin-4-ylanilino)pyrrolo[2,1-f][1,2,4]triazin-7-yl]benzamide.
What is the SMILES notation for N-methyl-4-[2-(3-morpholin-4-ylanilino)pyrrolo[2,1-f][1,2,4]triazin-7-yl]benzamide?
The canonical SMILES for N-methyl-4-[2-(3-morpholin-4-ylanilino)pyrrolo[2,1-f][1,2,4]triazin-7-yl]benzamide is CNC(=O)c1ccc(-c2ccc3cnc(Nc4cccc(N5CCOCC5)c4)nn23)cc1.
What is the InChIKey of N-methyl-4-[2-(3-morpholin-4-ylanilino)pyrrolo[2,1-f][1,2,4]triazin-7-yl]benzamide?
The InChIKey is VYZOUKYZYVJYKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O2/c1-25-23(31)18-7-5-17(6-8-18)22-10-9-21-16-26-24(28-30(21)22)27-19-3-2-4-20(15-19)29-11-13-32-14-12-29/h2-10,15-16H,11-14H2,1H3,(H,25,31)(H,27,28).
What are the key properties of N-methyl-4-[2-(3-morpholin-4-ylanilino)pyrrolo[2,1-f][1,2,4]triazin-7-yl]benzamide?
N-methyl-4-[2-(3-morpholin-4-ylanilino)pyrrolo[2,1-f][1,2,4]triazin-7-yl]benzamide has a molecular weight of 428.50 g/mol, XLogP of 3.34, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[2-(3-morpholin-4-ylanilino)pyrrolo[2,1-f][1,2,4]triazin-7-yl]benzamide is sourced from PubChem (CID 66711044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).