2-[6-(2-fluoroethoxy)-3-pyridinyl]-5-[(4-methoxyphenyl)methyl]-4H-pyrrolo[3,4-c]pyrazol-6-one

C20H19FN4O3 — CID 168879086

IUPAC2-[6-(2-fluoroethoxy)-3-pyridinyl]-5-[(4-methoxyphenyl)methyl]-4H-pyrrolo[3,4-c]pyrazol-6-one
SMILESCOc1ccc(CN2Cc3cn(-c4ccc(OCCF)nc4)nc3C2=O)cc1
InChIInChI=1S/C20H19FN4O3/c1-27-17-5-2-14(3-6-17)11-24-12-15-13-25(23-19(15)20(24)26)16-4-7-18(22-10-16)28-9-8-21/h2-7,10,13H,8-9,11-12H2,1H3
InChIKeyMCBNHWWNIAYGBS-UHFFFAOYSA-N
MW382.40 g/mol
LogP2.78
Rot. Bonds7

About 2-[6-(2-fluoroethoxy)-3-pyridinyl]-5-[(4-methoxyphenyl)methyl]-4H-pyrrolo[3,4-c]pyrazol-6-one

2-[6-(2-fluoroethoxy)-3-pyridinyl]-5-[(4-methoxyphenyl)methyl]-4H-pyrrolo[3,4-c]pyrazol-6-one (PubChem CID 168879086) has the molecular formula C20H19FN4O3 and a molecular weight of 382.40 g/mol. Its IUPAC name is 2-[6-(2-fluoroethoxy)-3-pyridinyl]-5-[(4-methoxyphenyl)methyl]-4H-pyrrolo[3,4-c]pyrazol-6-one.

Molecular Properties

Compound Name2-[6-(2-fluoroethoxy)-3-pyridinyl]-5-[(4-methoxyphenyl)methyl]-4H-pyrrolo[3,4-c]pyrazol-6-one
PubChem CID168879086
Molecular FormulaC20H19FN4O3
Molecular Weight382.40 g/mol
Exact Mass382.14
IUPAC Name2-[6-(2-fluoroethoxy)-3-pyridinyl]-5-[(4-methoxyphenyl)methyl]-4H-pyrrolo[3,4-c]pyrazol-6-one
SMILESCOc1ccc(CN2Cc3cn(-c4ccc(OCCF)nc4)nc3C2=O)cc1
InChIInChI=1S/C20H19FN4O3/c1-27-17-5-2-14(3-6-17)11-24-12-15-13-25(23-19(15)20(24)26)16-4-7-18(22-10-16)28-9-8-21/h2-7,10,13H,8-9,11-12H2,1H3
InChIKeyMCBNHWWNIAYGBS-UHFFFAOYSA-N
XLogP2.78
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.40
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[6-(2-fluoroethoxy)-3-pyridinyl]-5-[(4-methoxyphenyl)methyl]-4H-pyrrolo[3,4-c]pyrazol-6-one with MolForge

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Related Compounds

4-[(4-methoxyphenyl)methyl]-1,3-dihydropyrido[3,2-e][1,4]diazepine-2,5-dione
CID 102432545
6-fluoro-7-iodo-2-[(4-methoxyphenyl)methyl]-3H-isoindol-1-one
CID 130430905
3,10,17,24-tetrakis[(4-methoxyphenyl)methyl]-3,10,17,24-tetrazapentacyclo[24.2.2.25,8.212,15.219,22]hexatriaconta-1(29),5,7,12,14,19(32),20,22(31),26(30),27,33,35-dodecaene-2,9,16,23-tetrone
CID 132575390
2-[2-[(4-methoxyphenyl)methyl]-3-oxo-1H-isoindol-5-yl]acetic acid
CID 174188826
7-bromo-4-chloro-2-[(4-methoxyphenyl)methyl]-1H-pyrrolo[3,4-c]pyridin-3-one
CID 177261613
3-fluoro-1-[(4-methoxyphenyl)methyl]-2,5-dihydropyridin-6-one
CID 132544265
1,4-bis[(4-methoxyphenyl)methyl]-3-methylidenepiperazine-2,5-dione
CID 91314471
methyl 2-[(4-methoxyphenyl)methyl]-3-oxo-1H-isoindole-5-carboxylate
CID 58243740
2-chloro-8-[(4-methoxyphenyl)methyl]-5,7-dihydropteridin-6-one
CID 175229386
1-[(4-methoxyphenyl)methyl]-4-(5-methoxypyrimidin-2-yl)piperazin-2-one
CID 70726206
2-[6-(2-fluoroethoxy)-3-pyridinyl]-5-(1-methylpyrazol-4-yl)-4H-imidazo[5,1-e]pyrazol-6-one
CID 168879221
2-chloro-6-[(4-methoxyphenyl)methyl]-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one
CID 129071703

Frequently Asked Questions

What is the IUPAC name of 2-[6-(2-fluoroethoxy)-3-pyridinyl]-5-[(4-methoxyphenyl)methyl]-4H-pyrrolo[3,4-c]pyrazol-6-one?
The IUPAC name of 2-[6-(2-fluoroethoxy)-3-pyridinyl]-5-[(4-methoxyphenyl)methyl]-4H-pyrrolo[3,4-c]pyrazol-6-one (CID 168879086) is 2-[6-(2-fluoroethoxy)-3-pyridinyl]-5-[(4-methoxyphenyl)methyl]-4H-pyrrolo[3,4-c]pyrazol-6-one.
What is the SMILES notation for 2-[6-(2-fluoroethoxy)-3-pyridinyl]-5-[(4-methoxyphenyl)methyl]-4H-pyrrolo[3,4-c]pyrazol-6-one?
The canonical SMILES for 2-[6-(2-fluoroethoxy)-3-pyridinyl]-5-[(4-methoxyphenyl)methyl]-4H-pyrrolo[3,4-c]pyrazol-6-one is COc1ccc(CN2Cc3cn(-c4ccc(OCCF)nc4)nc3C2=O)cc1.
What is the InChIKey of 2-[6-(2-fluoroethoxy)-3-pyridinyl]-5-[(4-methoxyphenyl)methyl]-4H-pyrrolo[3,4-c]pyrazol-6-one?
The InChIKey is MCBNHWWNIAYGBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O3/c1-27-17-5-2-14(3-6-17)11-24-12-15-13-25(23-19(15)20(24)26)16-4-7-18(22-10-16)28-9-8-21/h2-7,10,13H,8-9,11-12H2,1H3.
What are the key properties of 2-[6-(2-fluoroethoxy)-3-pyridinyl]-5-[(4-methoxyphenyl)methyl]-4H-pyrrolo[3,4-c]pyrazol-6-one?
2-[6-(2-fluoroethoxy)-3-pyridinyl]-5-[(4-methoxyphenyl)methyl]-4H-pyrrolo[3,4-c]pyrazol-6-one has a molecular weight of 382.40 g/mol, XLogP of 2.78, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(2-fluoroethoxy)-3-pyridinyl]-5-[(4-methoxyphenyl)methyl]-4H-pyrrolo[3,4-c]pyrazol-6-one is sourced from PubChem (CID 168879086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).