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

C23H19F2N7O — CID 71621520

IUPAC7-(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
SMILESCC1(CC2CC2)C(=O)Nc2nc(-c3nn(Cc4ccccc4F)c4ncc(F)cc34)nnc21
InChIInChI=1S/C23H19F2N7O/c1-23(9-12-6-7-12)18-20(28-22(23)33)27-19(30-29-18)17-15-8-14(24)10-26-21(15)32(31-17)11-13-4-2-3-5-16(13)25/h2-5,8,10,12H,6-7,9,11H2,1H3,(H,27,28,30,33)
InChIKeySCPFLRLBQJMUNG-UHFFFAOYSA-N
MW447.45 g/mol
LogP3.62
Rot. Bonds5

About 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

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 (PubChem CID 71621520) has the molecular formula C23H19F2N7O and a molecular weight of 447.45 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name7-(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
PubChem CID71621520
Molecular FormulaC23H19F2N7O
Molecular Weight447.45 g/mol
Exact Mass447.16
IUPAC Name7-(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
SMILESCC1(CC2CC2)C(=O)Nc2nc(-c3nn(Cc4ccccc4F)c4ncc(F)cc34)nnc21
InChIInChI=1S/C23H19F2N7O/c1-23(9-12-6-7-12)18-20(28-22(23)33)27-19(30-29-18)17-15-8-14(24)10-26-21(15)32(31-17)11-13-4-2-3-5-16(13)25/h2-5,8,10,12H,6-7,9,11H2,1H3,(H,27,28,30,33)
InChIKeySCPFLRLBQJMUNG-UHFFFAOYSA-N
XLogP3.62
TPSA98.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.45
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(CC2CC2)C(=O)Nc2nc(-c3nn(Cc4ccccc4F)c4ncc(F)cc34)nnc21.
What is the InChIKey of 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?
The InChIKey is SCPFLRLBQJMUNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F2N7O/c1-23(9-12-6-7-12)18-20(28-22(23)33)27-19(30-29-18)17-15-8-14(24)10-26-21(15)32(31-17)11-13-4-2-3-5-16(13)25/h2-5,8,10,12H,6-7,9,11H2,1H3,(H,27,28,30,33).
What are the key properties of 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?
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 has a molecular weight of 447.45 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 71621520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).