2-(3-fluoro-2-pyridinyl)-5-[(6-methyl-2-pyridinyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine

C18H18FN5 — CID 122663171

IUPAC2-(3-fluoro-2-pyridinyl)-5-[(6-methyl-2-pyridinyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
SMILESCc1cccc(CN2CCn3nc(-c4ncccc4F)cc3C2)n1
InChIInChI=1S/C18H18FN5/c1-13-4-2-5-14(21-13)11-23-8-9-24-15(12-23)10-17(22-24)18-16(19)6-3-7-20-18/h2-7,10H,8-9,11-12H2,1H3
InChIKeyLYQHTDSWOFGQTQ-UHFFFAOYSA-N
MW323.38 g/mol
LogP2.80
Rot. Bonds3

About 2-(3-fluoro-2-pyridinyl)-5-[(6-methyl-2-pyridinyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine

2-(3-fluoro-2-pyridinyl)-5-[(6-methyl-2-pyridinyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine (PubChem CID 122663171) has the molecular formula C18H18FN5 and a molecular weight of 323.38 g/mol. Its IUPAC name is 2-(3-fluoro-2-pyridinyl)-5-[(6-methyl-2-pyridinyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name2-(3-fluoro-2-pyridinyl)-5-[(6-methyl-2-pyridinyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
PubChem CID122663171
Molecular FormulaC18H18FN5
Molecular Weight323.38 g/mol
Exact Mass323.15
IUPAC Name2-(3-fluoro-2-pyridinyl)-5-[(6-methyl-2-pyridinyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
SMILESCc1cccc(CN2CCn3nc(-c4ncccc4F)cc3C2)n1
InChIInChI=1S/C18H18FN5/c1-13-4-2-5-14(21-13)11-23-8-9-24-15(12-23)10-17(22-24)18-16(19)6-3-7-20-18/h2-7,10H,8-9,11-12H2,1H3
InChIKeyLYQHTDSWOFGQTQ-UHFFFAOYSA-N
XLogP2.80
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.38
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-2-pyridinyl)-5-[(6-methyl-2-pyridinyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine?
The IUPAC name of 2-(3-fluoro-2-pyridinyl)-5-[(6-methyl-2-pyridinyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine (CID 122663171) is 2-(3-fluoro-2-pyridinyl)-5-[(6-methyl-2-pyridinyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine.
What is the SMILES notation for 2-(3-fluoro-2-pyridinyl)-5-[(6-methyl-2-pyridinyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine?
The canonical SMILES for 2-(3-fluoro-2-pyridinyl)-5-[(6-methyl-2-pyridinyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine is Cc1cccc(CN2CCn3nc(-c4ncccc4F)cc3C2)n1.
What is the InChIKey of 2-(3-fluoro-2-pyridinyl)-5-[(6-methyl-2-pyridinyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine?
The InChIKey is LYQHTDSWOFGQTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN5/c1-13-4-2-5-14(21-13)11-23-8-9-24-15(12-23)10-17(22-24)18-16(19)6-3-7-20-18/h2-7,10H,8-9,11-12H2,1H3.
What are the key properties of 2-(3-fluoro-2-pyridinyl)-5-[(6-methyl-2-pyridinyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine?
2-(3-fluoro-2-pyridinyl)-5-[(6-methyl-2-pyridinyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine has a molecular weight of 323.38 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-2-pyridinyl)-5-[(6-methyl-2-pyridinyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine is sourced from PubChem (CID 122663171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).