3-[5-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-7-methyl-7-(phenylmethoxymethyl)-5H-pyrrolo[2,3-e][1,2,4]triazin-6-one

C27H21F2N7O2 — CID 71621521

IUPAC3-[5-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-7-methyl-7-(phenylmethoxymethyl)-5H-pyrrolo[2,3-e][1,2,4]triazin-6-one
SMILESCC1(COCc2ccccc2)C(=O)Nc2nc(-c3nn(Cc4ccccc4F)c4ncc(F)cc34)nnc21
InChIInChI=1S/C27H21F2N7O2/c1-27(15-38-14-16-7-3-2-4-8-16)22-24(32-26(27)37)31-23(34-33-22)21-19-11-18(28)12-30-25(19)36(35-21)13-17-9-5-6-10-20(17)29/h2-12H,13-15H2,1H3,(H,31,32,34,37)
InChIKeyMGPASUYXFXCANX-UHFFFAOYSA-N
MW513.51 g/mol
LogP4.04
Rot. Bonds7

About 3-[5-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-7-methyl-7-(phenylmethoxymethyl)-5H-pyrrolo[2,3-e][1,2,4]triazin-6-one

3-[5-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-7-methyl-7-(phenylmethoxymethyl)-5H-pyrrolo[2,3-e][1,2,4]triazin-6-one (PubChem CID 71621521) has the molecular formula C27H21F2N7O2 and a molecular weight of 513.51 g/mol. Its IUPAC name is 3-[5-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-7-methyl-7-(phenylmethoxymethyl)-5H-pyrrolo[2,3-e][1,2,4]triazin-6-one.

Molecular Properties

Compound Name3-[5-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-7-methyl-7-(phenylmethoxymethyl)-5H-pyrrolo[2,3-e][1,2,4]triazin-6-one
PubChem CID71621521
Molecular FormulaC27H21F2N7O2
Molecular Weight513.51 g/mol
Exact Mass513.17
IUPAC Name3-[5-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-7-methyl-7-(phenylmethoxymethyl)-5H-pyrrolo[2,3-e][1,2,4]triazin-6-one
SMILESCC1(COCc2ccccc2)C(=O)Nc2nc(-c3nn(Cc4ccccc4F)c4ncc(F)cc34)nnc21
InChIInChI=1S/C27H21F2N7O2/c1-27(15-38-14-16-7-3-2-4-8-16)22-24(32-26(27)37)31-23(34-33-22)21-19-11-18(28)12-30-25(19)36(35-21)13-17-9-5-6-10-20(17)29/h2-12H,13-15H2,1H3,(H,31,32,34,37)
InChIKeyMGPASUYXFXCANX-UHFFFAOYSA-N
XLogP4.04
TPSA107.71 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.51
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-[5-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-7-methyl-7-(phenylmethoxymethyl)-5H-pyrrolo[2,3-e][1,2,4]triazin-6-one with MolForge

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Related Compounds

4-[(4-fluorophenyl)methoxy]-3-methyl-1-(7H-purin-6-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 137639471
2-fluoro-N-[6-[3-(4-fluorophenyl)-1-methyl-5-(oxan-4-yl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide
CID 90241809
N-[6-[3-(4-fluorophenyl)-1-methyl-5-(oxan-4-yl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide
CID 118537111
4-[(2-fluorophenyl)methoxy]-3-methyl-1-(7H-purin-6-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 137646005
7-[[2-(3-Fluoro-2-pyridinyl)imidazol-1-yl]methyl]-2-methyl-8-(2-phenylmethoxyethyl)-[1,2,4]triazolo[1,5-c]pyrimidine
CID 11419380
7-[[2-(3-Fluoro-2-pyridinyl)imidazol-1-yl]methyl]-2-methyl-8-(3-phenylmethoxypropyl)-[1,2,4]triazolo[1,5-c]pyrimidine
CID 11431027
3-[5-Fluoro-1-(4-methoxybenzyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]-7,7-dimethyl-5,7-dihydro-6H-pyrrolo[2,3-e][1,2,4]triazin-6-one
CID 71187383
3-[1-(2,3-Difluorobenzyl)-6-methyl-1H-pyrazolo[3,4-d]pyrimidin-3-yl]-7,7-dimethyl-5,7-dihydro-6H-pyrrolo[2,3-e][1,2,4]triazin-6-one
CID 71612654
7-(cyclopropylmethyl)-3-[5-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-7-methyl-5H-pyrrolo[2,3-e][1,2,4]triazin-6-one
CID 71621520
7-ethyl-3-[5-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-7-methyl-5H-pyrrolo[2,3-e][1,2,4]triazin-6-one
CID 71621522
3-[5-Fluoro-1-(2-fluoro-4-methylbenzyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]-7,7-dimethyl-5,7-dihydro-6H-pyrrolo[2,3-e][1,2,4]triazin-6-one
CID 71621682
3-[5-fluoro-1-[(2-fluoro-3-methoxyphenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-7,7-dimethyl-5H-pyrrolo[2,3-e][1,2,4]triazin-6-one
CID 71621683

Frequently Asked Questions

What is the IUPAC name of 3-[5-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-7-methyl-7-(phenylmethoxymethyl)-5H-pyrrolo[2,3-e][1,2,4]triazin-6-one?
The IUPAC name of 3-[5-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-7-methyl-7-(phenylmethoxymethyl)-5H-pyrrolo[2,3-e][1,2,4]triazin-6-one (CID 71621521) is 3-[5-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-7-methyl-7-(phenylmethoxymethyl)-5H-pyrrolo[2,3-e][1,2,4]triazin-6-one.
What is the SMILES notation for 3-[5-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-7-methyl-7-(phenylmethoxymethyl)-5H-pyrrolo[2,3-e][1,2,4]triazin-6-one?
The canonical SMILES for 3-[5-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-7-methyl-7-(phenylmethoxymethyl)-5H-pyrrolo[2,3-e][1,2,4]triazin-6-one is CC1(COCc2ccccc2)C(=O)Nc2nc(-c3nn(Cc4ccccc4F)c4ncc(F)cc34)nnc21.
What is the InChIKey of 3-[5-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-7-methyl-7-(phenylmethoxymethyl)-5H-pyrrolo[2,3-e][1,2,4]triazin-6-one?
The InChIKey is MGPASUYXFXCANX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21F2N7O2/c1-27(15-38-14-16-7-3-2-4-8-16)22-24(32-26(27)37)31-23(34-33-22)21-19-11-18(28)12-30-25(19)36(35-21)13-17-9-5-6-10-20(17)29/h2-12H,13-15H2,1H3,(H,31,32,34,37).
What are the key properties of 3-[5-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-7-methyl-7-(phenylmethoxymethyl)-5H-pyrrolo[2,3-e][1,2,4]triazin-6-one?
3-[5-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-7-methyl-7-(phenylmethoxymethyl)-5H-pyrrolo[2,3-e][1,2,4]triazin-6-one has a molecular weight of 513.51 g/mol, XLogP of 4.04, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-7-methyl-7-(phenylmethoxymethyl)-5H-pyrrolo[2,3-e][1,2,4]triazin-6-one is sourced from PubChem (CID 71621521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).