7-(2,3-dihydropyrrolo[2,3-b]pyridine-1-carbonyl)-5-hydroxy-3-(2-methoxyethyl)-1-methyl-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione

C19H21N5O5 — CID 118591887

IUPAC7-(2,3-dihydropyrrolo[2,3-b]pyridine-1-carbonyl)-5-hydroxy-3-(2-methoxyethyl)-1-methyl-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione
SMILESCOCCN1CN(C)n2cc(C(=O)N3CCc4cccnc43)c(=O)c(O)c2C1=O
InChIInChI=1S/C19H21N5O5/c1-21-11-22(8-9-29-2)19(28)14-16(26)15(25)13(10-24(14)21)18(27)23-7-5-12-4-3-6-20-17(12)23/h3-4,6,10,26H,5,7-9,11H2,1-2H3
InChIKeyALDGFLVQWLLDQN-UHFFFAOYSA-N
MW399.41 g/mol
LogP-0.22
Rot. Bonds4

About 7-(2,3-dihydropyrrolo[2,3-b]pyridine-1-carbonyl)-5-hydroxy-3-(2-methoxyethyl)-1-methyl-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione

7-(2,3-dihydropyrrolo[2,3-b]pyridine-1-carbonyl)-5-hydroxy-3-(2-methoxyethyl)-1-methyl-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione (PubChem CID 118591887) has the molecular formula C19H21N5O5 and a molecular weight of 399.41 g/mol. Its IUPAC name is 7-(2,3-dihydropyrrolo[2,3-b]pyridine-1-carbonyl)-5-hydroxy-3-(2-methoxyethyl)-1-methyl-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione.

Molecular Properties

Compound Name7-(2,3-dihydropyrrolo[2,3-b]pyridine-1-carbonyl)-5-hydroxy-3-(2-methoxyethyl)-1-methyl-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione
PubChem CID118591887
Molecular FormulaC19H21N5O5
Molecular Weight399.41 g/mol
Exact Mass399.15
IUPAC Name7-(2,3-dihydropyrrolo[2,3-b]pyridine-1-carbonyl)-5-hydroxy-3-(2-methoxyethyl)-1-methyl-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione
SMILESCOCCN1CN(C)n2cc(C(=O)N3CCc4cccnc43)c(=O)c(O)c2C1=O
InChIInChI=1S/C19H21N5O5/c1-21-11-22(8-9-29-2)19(28)14-16(26)15(25)13(10-24(14)21)18(27)23-7-5-12-4-3-6-20-17(12)23/h3-4,6,10,26H,5,7-9,11H2,1-2H3
InChIKeyALDGFLVQWLLDQN-UHFFFAOYSA-N
XLogP-0.22
TPSA108.21 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.41
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 7-(2,3-dihydropyrrolo[2,3-b]pyridine-1-carbonyl)-5-hydroxy-3-(2-methoxyethyl)-1-methyl-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-(2,3-dihydropyrrolo[2,3-b]pyridine-1-carbonyl)-5-hydroxy-3-(2-methoxyethyl)-1-methyl-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione?
The IUPAC name of 7-(2,3-dihydropyrrolo[2,3-b]pyridine-1-carbonyl)-5-hydroxy-3-(2-methoxyethyl)-1-methyl-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione (CID 118591887) is 7-(2,3-dihydropyrrolo[2,3-b]pyridine-1-carbonyl)-5-hydroxy-3-(2-methoxyethyl)-1-methyl-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione.
What is the SMILES notation for 7-(2,3-dihydropyrrolo[2,3-b]pyridine-1-carbonyl)-5-hydroxy-3-(2-methoxyethyl)-1-methyl-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione?
The canonical SMILES for 7-(2,3-dihydropyrrolo[2,3-b]pyridine-1-carbonyl)-5-hydroxy-3-(2-methoxyethyl)-1-methyl-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione is COCCN1CN(C)n2cc(C(=O)N3CCc4cccnc43)c(=O)c(O)c2C1=O.
What is the InChIKey of 7-(2,3-dihydropyrrolo[2,3-b]pyridine-1-carbonyl)-5-hydroxy-3-(2-methoxyethyl)-1-methyl-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione?
The InChIKey is ALDGFLVQWLLDQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O5/c1-21-11-22(8-9-29-2)19(28)14-16(26)15(25)13(10-24(14)21)18(27)23-7-5-12-4-3-6-20-17(12)23/h3-4,6,10,26H,5,7-9,11H2,1-2H3.
What are the key properties of 7-(2,3-dihydropyrrolo[2,3-b]pyridine-1-carbonyl)-5-hydroxy-3-(2-methoxyethyl)-1-methyl-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione?
7-(2,3-dihydropyrrolo[2,3-b]pyridine-1-carbonyl)-5-hydroxy-3-(2-methoxyethyl)-1-methyl-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione has a molecular weight of 399.41 g/mol, XLogP of -0.22, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,3-dihydropyrrolo[2,3-b]pyridine-1-carbonyl)-5-hydroxy-3-(2-methoxyethyl)-1-methyl-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione is sourced from PubChem (CID 118591887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).