1-[(4-fluorophenyl)methyl]-5-(3-methylpyrazin-2-yl)-4,6-dihydropyrrolo[3,4-d]pyrazole

C17H16FN5 — CID 56755247

IUPAC1-[(4-fluorophenyl)methyl]-5-(3-methylpyrazin-2-yl)-4,6-dihydropyrrolo[3,4-d]pyrazole
SMILESCc1nccnc1N1Cc2cnn(Cc3ccc(F)cc3)c2C1
InChIInChI=1S/C17H16FN5/c1-12-17(20-7-6-19-12)22-10-14-8-21-23(16(14)11-22)9-13-2-4-15(18)5-3-13/h2-8H,9-11H2,1H3
InChIKeyKLPBMQYJELPSMT-UHFFFAOYSA-N
MW309.35 g/mol
LogP2.69
Rot. Bonds3

About 1-[(4-fluorophenyl)methyl]-5-(3-methylpyrazin-2-yl)-4,6-dihydropyrrolo[3,4-d]pyrazole

1-[(4-fluorophenyl)methyl]-5-(3-methylpyrazin-2-yl)-4,6-dihydropyrrolo[3,4-d]pyrazole (PubChem CID 56755247) has the molecular formula C17H16FN5 and a molecular weight of 309.35 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-5-(3-methylpyrazin-2-yl)-4,6-dihydropyrrolo[3,4-d]pyrazole.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-5-(3-methylpyrazin-2-yl)-4,6-dihydropyrrolo[3,4-d]pyrazole
PubChem CID56755247
Molecular FormulaC17H16FN5
Molecular Weight309.35 g/mol
Exact Mass309.14
IUPAC Name1-[(4-fluorophenyl)methyl]-5-(3-methylpyrazin-2-yl)-4,6-dihydropyrrolo[3,4-d]pyrazole
SMILESCc1nccnc1N1Cc2cnn(Cc3ccc(F)cc3)c2C1
InChIInChI=1S/C17H16FN5/c1-12-17(20-7-6-19-12)22-10-14-8-21-23(16(14)11-22)9-13-2-4-15(18)5-3-13/h2-8H,9-11H2,1H3
InChIKeyKLPBMQYJELPSMT-UHFFFAOYSA-N
XLogP2.69
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.35
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-5-(3-methylpyrazin-2-yl)-4,6-dihydropyrrolo[3,4-d]pyrazole?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-5-(3-methylpyrazin-2-yl)-4,6-dihydropyrrolo[3,4-d]pyrazole (CID 56755247) is 1-[(4-fluorophenyl)methyl]-5-(3-methylpyrazin-2-yl)-4,6-dihydropyrrolo[3,4-d]pyrazole.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-5-(3-methylpyrazin-2-yl)-4,6-dihydropyrrolo[3,4-d]pyrazole?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-5-(3-methylpyrazin-2-yl)-4,6-dihydropyrrolo[3,4-d]pyrazole is Cc1nccnc1N1Cc2cnn(Cc3ccc(F)cc3)c2C1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-5-(3-methylpyrazin-2-yl)-4,6-dihydropyrrolo[3,4-d]pyrazole?
The InChIKey is KLPBMQYJELPSMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN5/c1-12-17(20-7-6-19-12)22-10-14-8-21-23(16(14)11-22)9-13-2-4-15(18)5-3-13/h2-8H,9-11H2,1H3.
What are the key properties of 1-[(4-fluorophenyl)methyl]-5-(3-methylpyrazin-2-yl)-4,6-dihydropyrrolo[3,4-d]pyrazole?
1-[(4-fluorophenyl)methyl]-5-(3-methylpyrazin-2-yl)-4,6-dihydropyrrolo[3,4-d]pyrazole has a molecular weight of 309.35 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-5-(3-methylpyrazin-2-yl)-4,6-dihydropyrrolo[3,4-d]pyrazole is sourced from PubChem (CID 56755247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).