2-(5,6-difluoro-1-methylindazol-3-yl)-6-[(4-methoxyphenyl)methyl]-7-methyl-7H-pyrrolo[3,4-b]pyridin-5-one

C24H20F2N4O2 — CID 167351045

IUPAC2-(5,6-difluoro-1-methylindazol-3-yl)-6-[(4-methoxyphenyl)methyl]-7-methyl-7H-pyrrolo[3,4-b]pyridin-5-one
SMILESCOc1ccc(CN2C(=O)c3ccc(-c4nn(C)c5cc(F)c(F)cc45)nc3C2C)cc1
InChIInChI=1S/C24H20F2N4O2/c1-13-22-16(24(31)30(13)12-14-4-6-15(32-3)7-5-14)8-9-20(27-22)23-17-10-18(25)19(26)11-21(17)29(2)28-23/h4-11,13H,12H2,1-3H3
InChIKeyKDEYYBXIIVAOHG-UHFFFAOYSA-N
MW434.45 g/mol
LogP4.64
Rot. Bonds4

About 2-(5,6-difluoro-1-methylindazol-3-yl)-6-[(4-methoxyphenyl)methyl]-7-methyl-7H-pyrrolo[3,4-b]pyridin-5-one

2-(5,6-difluoro-1-methylindazol-3-yl)-6-[(4-methoxyphenyl)methyl]-7-methyl-7H-pyrrolo[3,4-b]pyridin-5-one (PubChem CID 167351045) has the molecular formula C24H20F2N4O2 and a molecular weight of 434.45 g/mol. Its IUPAC name is 2-(5,6-difluoro-1-methylindazol-3-yl)-6-[(4-methoxyphenyl)methyl]-7-methyl-7H-pyrrolo[3,4-b]pyridin-5-one.

Molecular Properties

Compound Name2-(5,6-difluoro-1-methylindazol-3-yl)-6-[(4-methoxyphenyl)methyl]-7-methyl-7H-pyrrolo[3,4-b]pyridin-5-one
PubChem CID167351045
Molecular FormulaC24H20F2N4O2
Molecular Weight434.45 g/mol
Exact Mass434.16
IUPAC Name2-(5,6-difluoro-1-methylindazol-3-yl)-6-[(4-methoxyphenyl)methyl]-7-methyl-7H-pyrrolo[3,4-b]pyridin-5-one
SMILESCOc1ccc(CN2C(=O)c3ccc(-c4nn(C)c5cc(F)c(F)cc45)nc3C2C)cc1
InChIInChI=1S/C24H20F2N4O2/c1-13-22-16(24(31)30(13)12-14-4-6-15(32-3)7-5-14)8-9-20(27-22)23-17-10-18(25)19(26)11-21(17)29(2)28-23/h4-11,13H,12H2,1-3H3
InChIKeyKDEYYBXIIVAOHG-UHFFFAOYSA-N
XLogP4.64
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.45
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5,6-difluoro-1-methylindazol-3-yl)-6-[(4-methoxyphenyl)methyl]-7-methyl-7H-pyrrolo[3,4-b]pyridin-5-one?
The IUPAC name of 2-(5,6-difluoro-1-methylindazol-3-yl)-6-[(4-methoxyphenyl)methyl]-7-methyl-7H-pyrrolo[3,4-b]pyridin-5-one (CID 167351045) is 2-(5,6-difluoro-1-methylindazol-3-yl)-6-[(4-methoxyphenyl)methyl]-7-methyl-7H-pyrrolo[3,4-b]pyridin-5-one.
What is the SMILES notation for 2-(5,6-difluoro-1-methylindazol-3-yl)-6-[(4-methoxyphenyl)methyl]-7-methyl-7H-pyrrolo[3,4-b]pyridin-5-one?
The canonical SMILES for 2-(5,6-difluoro-1-methylindazol-3-yl)-6-[(4-methoxyphenyl)methyl]-7-methyl-7H-pyrrolo[3,4-b]pyridin-5-one is COc1ccc(CN2C(=O)c3ccc(-c4nn(C)c5cc(F)c(F)cc45)nc3C2C)cc1.
What is the InChIKey of 2-(5,6-difluoro-1-methylindazol-3-yl)-6-[(4-methoxyphenyl)methyl]-7-methyl-7H-pyrrolo[3,4-b]pyridin-5-one?
The InChIKey is KDEYYBXIIVAOHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F2N4O2/c1-13-22-16(24(31)30(13)12-14-4-6-15(32-3)7-5-14)8-9-20(27-22)23-17-10-18(25)19(26)11-21(17)29(2)28-23/h4-11,13H,12H2,1-3H3.
What are the key properties of 2-(5,6-difluoro-1-methylindazol-3-yl)-6-[(4-methoxyphenyl)methyl]-7-methyl-7H-pyrrolo[3,4-b]pyridin-5-one?
2-(5,6-difluoro-1-methylindazol-3-yl)-6-[(4-methoxyphenyl)methyl]-7-methyl-7H-pyrrolo[3,4-b]pyridin-5-one has a molecular weight of 434.45 g/mol, XLogP of 4.64, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-difluoro-1-methylindazol-3-yl)-6-[(4-methoxyphenyl)methyl]-7-methyl-7H-pyrrolo[3,4-b]pyridin-5-one is sourced from PubChem (CID 167351045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).