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

C22H16F3N5O2 — CID 53018554

IUPAC(3,4-difluorophenyl)-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone
SMILESCn1nc(-c2nc(-c3ccc(F)cc3)no2)c2c1CCN(C(=O)c1ccc(F)c(F)c1)C2
InChIInChI=1S/C22H16F3N5O2/c1-29-18-8-9-30(22(31)13-4-7-16(24)17(25)10-13)11-15(18)19(27-29)21-26-20(28-32-21)12-2-5-14(23)6-3-12/h2-7,10H,8-9,11H2,1H3
InChIKeyIOZZDMCUAJYGSR-UHFFFAOYSA-N
MW439.40 g/mol
LogP3.75
Rot. Bonds3

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

(3,4-difluorophenyl)-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone (PubChem CID 53018554) has the molecular formula C22H16F3N5O2 and a molecular weight of 439.40 g/mol. Its IUPAC name is (3,4-difluorophenyl)-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone.

Molecular Properties

Compound Name(3,4-difluorophenyl)-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone
PubChem CID53018554
Molecular FormulaC22H16F3N5O2
Molecular Weight439.40 g/mol
Exact Mass439.13
IUPAC Name(3,4-difluorophenyl)-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone
SMILESCn1nc(-c2nc(-c3ccc(F)cc3)no2)c2c1CCN(C(=O)c1ccc(F)c(F)c1)C2
InChIInChI=1S/C22H16F3N5O2/c1-29-18-8-9-30(22(31)13-4-7-16(24)17(25)10-13)11-15(18)19(27-29)21-26-20(28-32-21)12-2-5-14(23)6-3-12/h2-7,10H,8-9,11H2,1H3
InChIKeyIOZZDMCUAJYGSR-UHFFFAOYSA-N
XLogP3.75
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.40
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (3,4-difluorophenyl)-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-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)-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone?
The IUPAC name of (3,4-difluorophenyl)-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone (CID 53018554) is (3,4-difluorophenyl)-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone.
What is the SMILES notation for (3,4-difluorophenyl)-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone?
The canonical SMILES for (3,4-difluorophenyl)-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone is Cn1nc(-c2nc(-c3ccc(F)cc3)no2)c2c1CCN(C(=O)c1ccc(F)c(F)c1)C2.
What is the InChIKey of (3,4-difluorophenyl)-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone?
The InChIKey is IOZZDMCUAJYGSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F3N5O2/c1-29-18-8-9-30(22(31)13-4-7-16(24)17(25)10-13)11-15(18)19(27-29)21-26-20(28-32-21)12-2-5-14(23)6-3-12/h2-7,10H,8-9,11H2,1H3.
What are the key properties of (3,4-difluorophenyl)-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone?
(3,4-difluorophenyl)-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone has a molecular weight of 439.40 g/mol, XLogP of 3.75, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-difluorophenyl)-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone is sourced from PubChem (CID 53018554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).