1-[1-ethyl-3-(5-methyl-1,3-oxazol-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2,2-difluoroethanone

C14H16F2N4O2 — CID 146067052

IUPAC1-[1-ethyl-3-(5-methyl-1,3-oxazol-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2,2-difluoroethanone
SMILESCCn1nc(-c2ncc(C)o2)c2c1CCN(C(=O)C(F)F)C2
InChIInChI=1S/C14H16F2N4O2/c1-3-20-10-4-5-19(14(21)12(15)16)7-9(10)11(18-20)13-17-6-8(2)22-13/h6,12H,3-5,7H2,1-2H3
InChIKeyZGBANQGEXNXTSD-UHFFFAOYSA-N
MW310.30 g/mol
LogP2.02
Rot. Bonds3

About 1-[1-ethyl-3-(5-methyl-1,3-oxazol-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2,2-difluoroethanone

1-[1-ethyl-3-(5-methyl-1,3-oxazol-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2,2-difluoroethanone (PubChem CID 146067052) has the molecular formula C14H16F2N4O2 and a molecular weight of 310.30 g/mol. Its IUPAC name is 1-[1-ethyl-3-(5-methyl-1,3-oxazol-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2,2-difluoroethanone.

Molecular Properties

Compound Name1-[1-ethyl-3-(5-methyl-1,3-oxazol-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2,2-difluoroethanone
PubChem CID146067052
Molecular FormulaC14H16F2N4O2
Molecular Weight310.30 g/mol
Exact Mass310.12
IUPAC Name1-[1-ethyl-3-(5-methyl-1,3-oxazol-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2,2-difluoroethanone
SMILESCCn1nc(-c2ncc(C)o2)c2c1CCN(C(=O)C(F)F)C2
InChIInChI=1S/C14H16F2N4O2/c1-3-20-10-4-5-19(14(21)12(15)16)7-9(10)11(18-20)13-17-6-8(2)22-13/h6,12H,3-5,7H2,1-2H3
InChIKeyZGBANQGEXNXTSD-UHFFFAOYSA-N
XLogP2.02
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.30
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-ethyl-3-(5-methyl-1,3-oxazol-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2,2-difluoroethanone?
The IUPAC name of 1-[1-ethyl-3-(5-methyl-1,3-oxazol-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2,2-difluoroethanone (CID 146067052) is 1-[1-ethyl-3-(5-methyl-1,3-oxazol-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2,2-difluoroethanone.
What is the SMILES notation for 1-[1-ethyl-3-(5-methyl-1,3-oxazol-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2,2-difluoroethanone?
The canonical SMILES for 1-[1-ethyl-3-(5-methyl-1,3-oxazol-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2,2-difluoroethanone is CCn1nc(-c2ncc(C)o2)c2c1CCN(C(=O)C(F)F)C2.
What is the InChIKey of 1-[1-ethyl-3-(5-methyl-1,3-oxazol-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2,2-difluoroethanone?
The InChIKey is ZGBANQGEXNXTSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N4O2/c1-3-20-10-4-5-19(14(21)12(15)16)7-9(10)11(18-20)13-17-6-8(2)22-13/h6,12H,3-5,7H2,1-2H3.
What are the key properties of 1-[1-ethyl-3-(5-methyl-1,3-oxazol-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2,2-difluoroethanone?
1-[1-ethyl-3-(5-methyl-1,3-oxazol-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2,2-difluoroethanone has a molecular weight of 310.30 g/mol, XLogP of 2.02, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-ethyl-3-(5-methyl-1,3-oxazol-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2,2-difluoroethanone is sourced from PubChem (CID 146067052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).