(3-fluoro-2-methoxyphenyl)-[1-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]methanone

C20H17F2N3O2 — CID 56746814

IUPAC(3-fluoro-2-methoxyphenyl)-[1-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]methanone
SMILESCOc1c(F)cccc1C(=O)N1Cc2cnn(Cc3ccc(F)cc3)c2C1
InChIInChI=1S/C20H17F2N3O2/c1-27-19-16(3-2-4-17(19)22)20(26)24-11-14-9-23-25(18(14)12-24)10-13-5-7-15(21)8-6-13/h2-9H,10-12H2,1H3
InChIKeyVACLISGAPIRXCG-UHFFFAOYSA-N
MW369.37 g/mol
LogP3.37
Rot. Bonds4

About (3-fluoro-2-methoxyphenyl)-[1-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]methanone

(3-fluoro-2-methoxyphenyl)-[1-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]methanone (PubChem CID 56746814) has the molecular formula C20H17F2N3O2 and a molecular weight of 369.37 g/mol. Its IUPAC name is (3-fluoro-2-methoxyphenyl)-[1-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]methanone.

Molecular Properties

Compound Name(3-fluoro-2-methoxyphenyl)-[1-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]methanone
PubChem CID56746814
Molecular FormulaC20H17F2N3O2
Molecular Weight369.37 g/mol
Exact Mass369.13
IUPAC Name(3-fluoro-2-methoxyphenyl)-[1-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]methanone
SMILESCOc1c(F)cccc1C(=O)N1Cc2cnn(Cc3ccc(F)cc3)c2C1
InChIInChI=1S/C20H17F2N3O2/c1-27-19-16(3-2-4-17(19)22)20(26)24-11-14-9-23-25(18(14)12-24)10-13-5-7-15(21)8-6-13/h2-9H,10-12H2,1H3
InChIKeyVACLISGAPIRXCG-UHFFFAOYSA-N
XLogP3.37
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.37
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-fluoro-2-methoxyphenyl)-[1-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]methanone?
The IUPAC name of (3-fluoro-2-methoxyphenyl)-[1-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]methanone (CID 56746814) is (3-fluoro-2-methoxyphenyl)-[1-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]methanone.
What is the SMILES notation for (3-fluoro-2-methoxyphenyl)-[1-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]methanone?
The canonical SMILES for (3-fluoro-2-methoxyphenyl)-[1-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]methanone is COc1c(F)cccc1C(=O)N1Cc2cnn(Cc3ccc(F)cc3)c2C1.
What is the InChIKey of (3-fluoro-2-methoxyphenyl)-[1-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]methanone?
The InChIKey is VACLISGAPIRXCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2N3O2/c1-27-19-16(3-2-4-17(19)22)20(26)24-11-14-9-23-25(18(14)12-24)10-13-5-7-15(21)8-6-13/h2-9H,10-12H2,1H3.
What are the key properties of (3-fluoro-2-methoxyphenyl)-[1-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]methanone?
(3-fluoro-2-methoxyphenyl)-[1-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]methanone has a molecular weight of 369.37 g/mol, XLogP of 3.37, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-2-methoxyphenyl)-[1-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]methanone is sourced from PubChem (CID 56746814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).