1-methyl-5-[(7-pyridin-3-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]-3H-indol-2-one

C20H16N6O — CID 66712024

IUPAC1-methyl-5-[(7-pyridin-3-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]-3H-indol-2-one
SMILESCN1C(=O)Cc2cc(Nc3ncc4ccc(-c5cccnc5)n4n3)ccc21
InChIInChI=1S/C20H16N6O/c1-25-17-6-4-15(9-14(17)10-19(25)27)23-20-22-12-16-5-7-18(26(16)24-20)13-3-2-8-21-11-13/h2-9,11-12H,10H2,1H3,(H,23,24)
InChIKeyOBVKPJCZYLNGQK-UHFFFAOYSA-N
MW356.39 g/mol
LogP3.05
Rot. Bonds3

About 1-methyl-5-[(7-pyridin-3-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]-3H-indol-2-one

1-methyl-5-[(7-pyridin-3-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]-3H-indol-2-one (PubChem CID 66712024) has the molecular formula C20H16N6O and a molecular weight of 356.39 g/mol. Its IUPAC name is 1-methyl-5-[(7-pyridin-3-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]-3H-indol-2-one.

Molecular Properties

Compound Name1-methyl-5-[(7-pyridin-3-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]-3H-indol-2-one
PubChem CID66712024
Molecular FormulaC20H16N6O
Molecular Weight356.39 g/mol
Exact Mass356.14
IUPAC Name1-methyl-5-[(7-pyridin-3-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]-3H-indol-2-one
SMILESCN1C(=O)Cc2cc(Nc3ncc4ccc(-c5cccnc5)n4n3)ccc21
InChIInChI=1S/C20H16N6O/c1-25-17-6-4-15(9-14(17)10-19(25)27)23-20-22-12-16-5-7-18(26(16)24-20)13-3-2-8-21-11-13/h2-9,11-12H,10H2,1H3,(H,23,24)
InChIKeyOBVKPJCZYLNGQK-UHFFFAOYSA-N
XLogP3.05
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.39
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-methyl-5-[(7-pyridin-3-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]-3H-indol-2-one with MolForge

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Related Compounds

N-(4-fluoro-3-morpholin-4-ylphenyl)-7-pyridin-3-ylpyrrolo[2,1-f][1,2,4]triazin-2-amine
CID 66711961
7-pyridin-3-yl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrrolo[2,1-f][1,2,4]triazin-2-amine
CID 66710881
N-[4-(4-methylpiperazin-1-yl)phenyl]-7-phenylpyrrolo[2,1-f][1,2,4]triazin-2-amine
CID 46220497
N-[7-(6-methoxy-3-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]-1-methyl-3,5-dihydro-2H-4,1-benzoxazepin-7-amine
CID 66711842
N-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-7-(4-methylsulfonylphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine
CID 66711917
1-methyl-2-oxo-5-pyridin-3-yl-3H-indole-6-carbonitrile
CID 66793897
N-methyl-N-[2-[2-(4-pyridin-3-ylanilino)pyrrolo[2,1-f][1,2,4]triazin-7-yl]phenyl]methanesulfonamide
CID 66712230
7-(1-methylpyrazol-4-yl)-N-(3-pyrazol-1-ylphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine
CID 66714105
N-(3H-1,2-benzodioxol-5-yl)-7-(3-chlorophenyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine
CID 87399201
N-[4-(4-methylpiperazin-1-yl)phenyl]-7-(3-piperazin-1-ylphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine
CID 66712093
N-(3-methylbenzimidazol-5-yl)-7-(4-methylsulfonylphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine
CID 66712281
N-[3-(4-methylpiperazin-1-yl)phenyl]-7-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-2-amine
CID 66711644

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[(7-pyridin-3-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]-3H-indol-2-one?
The IUPAC name of 1-methyl-5-[(7-pyridin-3-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]-3H-indol-2-one (CID 66712024) is 1-methyl-5-[(7-pyridin-3-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]-3H-indol-2-one.
What is the SMILES notation for 1-methyl-5-[(7-pyridin-3-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]-3H-indol-2-one?
The canonical SMILES for 1-methyl-5-[(7-pyridin-3-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]-3H-indol-2-one is CN1C(=O)Cc2cc(Nc3ncc4ccc(-c5cccnc5)n4n3)ccc21.
What is the InChIKey of 1-methyl-5-[(7-pyridin-3-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]-3H-indol-2-one?
The InChIKey is OBVKPJCZYLNGQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N6O/c1-25-17-6-4-15(9-14(17)10-19(25)27)23-20-22-12-16-5-7-18(26(16)24-20)13-3-2-8-21-11-13/h2-9,11-12H,10H2,1H3,(H,23,24).
What are the key properties of 1-methyl-5-[(7-pyridin-3-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]-3H-indol-2-one?
1-methyl-5-[(7-pyridin-3-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]-3H-indol-2-one has a molecular weight of 356.39 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[(7-pyridin-3-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]-3H-indol-2-one is sourced from PubChem (CID 66712024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).