(3,4-difluorophenyl)-[1-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone

C22H17F2N5O2 — CID 53018496

IUPAC(3,4-difluorophenyl)-[1-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone
SMILESCn1nc(-c2nc(-c3ccccc3)no2)c2c1CCN(C(=O)c1ccc(F)c(F)c1)C2
InChIInChI=1S/C22H17F2N5O2/c1-28-18-9-10-29(22(30)14-7-8-16(23)17(24)11-14)12-15(18)19(26-28)21-25-20(27-31-21)13-5-3-2-4-6-13/h2-8,11H,9-10,12H2,1H3
InChIKeyLGHDNCKKKXHCKN-UHFFFAOYSA-N
MW421.41 g/mol
LogP3.61
Rot. Bonds3

About (3,4-difluorophenyl)-[1-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone

(3,4-difluorophenyl)-[1-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone (PubChem CID 53018496) has the molecular formula C22H17F2N5O2 and a molecular weight of 421.41 g/mol. Its IUPAC name is (3,4-difluorophenyl)-[1-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone.

Molecular Properties

Compound Name(3,4-difluorophenyl)-[1-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone
PubChem CID53018496
Molecular FormulaC22H17F2N5O2
Molecular Weight421.41 g/mol
Exact Mass421.14
IUPAC Name(3,4-difluorophenyl)-[1-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone
SMILESCn1nc(-c2nc(-c3ccccc3)no2)c2c1CCN(C(=O)c1ccc(F)c(F)c1)C2
InChIInChI=1S/C22H17F2N5O2/c1-28-18-9-10-29(22(30)14-7-8-16(23)17(24)11-14)12-15(18)19(26-28)21-25-20(27-31-21)13-5-3-2-4-6-13/h2-8,11H,9-10,12H2,1H3
InChIKeyLGHDNCKKKXHCKN-UHFFFAOYSA-N
XLogP3.61
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.41
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (3,4-difluorophenyl)-[1-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3,4-difluorophenyl)-[1-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone?
The IUPAC name of (3,4-difluorophenyl)-[1-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone (CID 53018496) is (3,4-difluorophenyl)-[1-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone.
What is the SMILES notation for (3,4-difluorophenyl)-[1-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone?
The canonical SMILES for (3,4-difluorophenyl)-[1-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone is Cn1nc(-c2nc(-c3ccccc3)no2)c2c1CCN(C(=O)c1ccc(F)c(F)c1)C2.
What is the InChIKey of (3,4-difluorophenyl)-[1-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone?
The InChIKey is LGHDNCKKKXHCKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F2N5O2/c1-28-18-9-10-29(22(30)14-7-8-16(23)17(24)11-14)12-15(18)19(26-28)21-25-20(27-31-21)13-5-3-2-4-6-13/h2-8,11H,9-10,12H2,1H3.
What are the key properties of (3,4-difluorophenyl)-[1-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone?
(3,4-difluorophenyl)-[1-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone has a molecular weight of 421.41 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-difluorophenyl)-[1-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone is sourced from PubChem (CID 53018496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).