4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-6-[(6-methyl-3-pyridinyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one

C24H20FN5O — CID 57379612

IUPAC4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-6-[(6-methyl-3-pyridinyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
SMILESCc1ccc(CN2Cc3nccc(-c4cn(C)nc4-c4ccc(F)cc4)c3C2=O)cn1
InChIInChI=1S/C24H20FN5O/c1-15-3-4-16(11-27-15)12-30-14-21-22(24(30)31)19(9-10-26-21)20-13-29(2)28-23(20)17-5-7-18(25)8-6-17/h3-11,13H,12,14H2,1-2H3
InChIKeyUENLCEMZMZCOPR-UHFFFAOYSA-N
MW413.46 g/mol
LogP4.15
Rot. Bonds4

About 4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-6-[(6-methyl-3-pyridinyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one

4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-6-[(6-methyl-3-pyridinyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one (PubChem CID 57379612) has the molecular formula C24H20FN5O and a molecular weight of 413.46 g/mol. Its IUPAC name is 4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-6-[(6-methyl-3-pyridinyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one.

Molecular Properties

Compound Name4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-6-[(6-methyl-3-pyridinyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
PubChem CID57379612
Molecular FormulaC24H20FN5O
Molecular Weight413.46 g/mol
Exact Mass413.17
IUPAC Name4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-6-[(6-methyl-3-pyridinyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
SMILESCc1ccc(CN2Cc3nccc(-c4cn(C)nc4-c4ccc(F)cc4)c3C2=O)cn1
InChIInChI=1S/C24H20FN5O/c1-15-3-4-16(11-27-15)12-30-14-21-22(24(30)31)19(9-10-26-21)20-13-29(2)28-23(20)17-5-7-18(25)8-6-17/h3-11,13H,12,14H2,1-2H3
InChIKeyUENLCEMZMZCOPR-UHFFFAOYSA-N
XLogP4.15
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.46
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-6-(pyridin-3-ylmethyl)-7H-pyrrolo[3,4-b]pyridin-5-one
CID 57379610
4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-6-[(6-methyl-3-pyridinyl)methyl]pyrrolo[3,4-b]pyridin-5-ol
CID 137028714
4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-6-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 57380104
4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
CID 57382334
4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-2-methylpyridine
CID 155401195
4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-6-[(1-methylpyrazol-4-yl)methyl]pyrrolo[3,4-b]pyridin-5-ol
CID 137161462
9-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-2,3,4,5-tetrahydropyrido[2,3-f][1,4]oxazepin-4-ium
CID 78225541
[4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-2-pyridinyl]methanamine
CID 73293375
2-[[4-(1,3-dimethylpyrazol-4-yl)phenyl]methyl]-4-[2-fluoro-5-(2-hydroxypropan-2-yl)phenoxy]-1H-pyrrolo[3,4-c]pyridin-3-one
CID 90166980
1-[(6-methyl-3-pyridinyl)methyl]-1,3-diazinan-2-one
CID 115371155
2-[[4-(1,3-dimethylpyrazol-4-yl)phenyl]methyl]-4-[(1R,2R)-2-hydroxycyclohexyl]oxy-1H-pyrrolo[3,4-c]pyridin-3-one
CID 118377214
6-[[4-(1,3-dimethylpyrazol-4-yl)-2-fluorophenyl]methyl]-4-(2,2,2-trifluoroethoxy)-7H-pyrrolo[3,4-d]pyrimidin-5-one
CID 126686681

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-6-[(6-methyl-3-pyridinyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one?
The IUPAC name of 4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-6-[(6-methyl-3-pyridinyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one (CID 57379612) is 4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-6-[(6-methyl-3-pyridinyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one.
What is the SMILES notation for 4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-6-[(6-methyl-3-pyridinyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one?
The canonical SMILES for 4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-6-[(6-methyl-3-pyridinyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one is Cc1ccc(CN2Cc3nccc(-c4cn(C)nc4-c4ccc(F)cc4)c3C2=O)cn1.
What is the InChIKey of 4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-6-[(6-methyl-3-pyridinyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one?
The InChIKey is UENLCEMZMZCOPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN5O/c1-15-3-4-16(11-27-15)12-30-14-21-22(24(30)31)19(9-10-26-21)20-13-29(2)28-23(20)17-5-7-18(25)8-6-17/h3-11,13H,12,14H2,1-2H3.
What are the key properties of 4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-6-[(6-methyl-3-pyridinyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one?
4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-6-[(6-methyl-3-pyridinyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one has a molecular weight of 413.46 g/mol, XLogP of 4.15, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-6-[(6-methyl-3-pyridinyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one is sourced from PubChem (CID 57379612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).