2-[[4-[2-(4-fluorophenyl)-5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-2-pyridinyl]methyl]-1,3-oxazole

C22H20FN5O — CID 167130450

IUPAC2-[[4-[2-(4-fluorophenyl)-5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-2-pyridinyl]methyl]-1,3-oxazole
SMILESCN1CCn2nc(-c3ccc(F)cc3)c(-c3ccnc(Cc4ncco4)c3)c2C1
InChIInChI=1S/C22H20FN5O/c1-27-9-10-28-19(14-27)21(22(26-28)15-2-4-17(23)5-3-15)16-6-7-24-18(12-16)13-20-25-8-11-29-20/h2-8,11-12H,9-10,13-14H2,1H3
InChIKeyKPOYGFPPKHGVDF-UHFFFAOYSA-N
MW389.43 g/mol
LogP3.78
Rot. Bonds4

About 2-[[4-[2-(4-fluorophenyl)-5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-2-pyridinyl]methyl]-1,3-oxazole

2-[[4-[2-(4-fluorophenyl)-5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-2-pyridinyl]methyl]-1,3-oxazole (PubChem CID 167130450) has the molecular formula C22H20FN5O and a molecular weight of 389.43 g/mol. Its IUPAC name is 2-[[4-[2-(4-fluorophenyl)-5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-2-pyridinyl]methyl]-1,3-oxazole.

Molecular Properties

Compound Name2-[[4-[2-(4-fluorophenyl)-5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-2-pyridinyl]methyl]-1,3-oxazole
PubChem CID167130450
Molecular FormulaC22H20FN5O
Molecular Weight389.43 g/mol
Exact Mass389.17
IUPAC Name2-[[4-[2-(4-fluorophenyl)-5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-2-pyridinyl]methyl]-1,3-oxazole
SMILESCN1CCn2nc(-c3ccc(F)cc3)c(-c3ccnc(Cc4ncco4)c3)c2C1
InChIInChI=1S/C22H20FN5O/c1-27-9-10-28-19(14-27)21(22(26-28)15-2-4-17(23)5-3-15)16-6-7-24-18(12-16)13-20-25-8-11-29-20/h2-8,11-12H,9-10,13-14H2,1H3
InChIKeyKPOYGFPPKHGVDF-UHFFFAOYSA-N
XLogP3.78
TPSA59.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-[2-(4-fluorophenyl)-5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-2-pyridinyl]methyl]-1,3-oxazole?
The IUPAC name of 2-[[4-[2-(4-fluorophenyl)-5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-2-pyridinyl]methyl]-1,3-oxazole (CID 167130450) is 2-[[4-[2-(4-fluorophenyl)-5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-2-pyridinyl]methyl]-1,3-oxazole.
What is the SMILES notation for 2-[[4-[2-(4-fluorophenyl)-5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-2-pyridinyl]methyl]-1,3-oxazole?
The canonical SMILES for 2-[[4-[2-(4-fluorophenyl)-5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-2-pyridinyl]methyl]-1,3-oxazole is CN1CCn2nc(-c3ccc(F)cc3)c(-c3ccnc(Cc4ncco4)c3)c2C1.
What is the InChIKey of 2-[[4-[2-(4-fluorophenyl)-5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-2-pyridinyl]methyl]-1,3-oxazole?
The InChIKey is KPOYGFPPKHGVDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN5O/c1-27-9-10-28-19(14-27)21(22(26-28)15-2-4-17(23)5-3-15)16-6-7-24-18(12-16)13-20-25-8-11-29-20/h2-8,11-12H,9-10,13-14H2,1H3.
What are the key properties of 2-[[4-[2-(4-fluorophenyl)-5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-2-pyridinyl]methyl]-1,3-oxazole?
2-[[4-[2-(4-fluorophenyl)-5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-2-pyridinyl]methyl]-1,3-oxazole has a molecular weight of 389.43 g/mol, XLogP of 3.78, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[2-(4-fluorophenyl)-5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-2-pyridinyl]methyl]-1,3-oxazole is sourced from PubChem (CID 167130450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).