6-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-(1-methyl-4-pyrazolo[1,5-a]pyridin-7-ylpyrazol-3-yl)-3H-isoindol-1-one

C22H15F2N7O2 — CID 138597941

IUPAC6-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-(1-methyl-4-pyrazolo[1,5-a]pyridin-7-ylpyrazol-3-yl)-3H-isoindol-1-one
SMILESCn1cc(-c2cccc3ccnn23)c(N2Cc3ccc(-c4nnc(C(F)F)o4)cc3C2=O)n1
InChIInChI=1S/C22H15F2N7O2/c1-29-11-16(17-4-2-3-14-7-8-25-31(14)17)19(28-29)30-10-13-6-5-12(9-15(13)22(30)32)20-26-27-21(33-20)18(23)24/h2-9,11,18H,10H2,1H3
InChIKeyMRWFMSDHTSTXCD-UHFFFAOYSA-N
MW447.41 g/mol
LogP3.88
Rot. Bonds4

About 6-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-(1-methyl-4-pyrazolo[1,5-a]pyridin-7-ylpyrazol-3-yl)-3H-isoindol-1-one

6-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-(1-methyl-4-pyrazolo[1,5-a]pyridin-7-ylpyrazol-3-yl)-3H-isoindol-1-one (PubChem CID 138597941) has the molecular formula C22H15F2N7O2 and a molecular weight of 447.41 g/mol. Its IUPAC name is 6-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-(1-methyl-4-pyrazolo[1,5-a]pyridin-7-ylpyrazol-3-yl)-3H-isoindol-1-one.

Molecular Properties

Compound Name6-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-(1-methyl-4-pyrazolo[1,5-a]pyridin-7-ylpyrazol-3-yl)-3H-isoindol-1-one
PubChem CID138597941
Molecular FormulaC22H15F2N7O2
Molecular Weight447.41 g/mol
Exact Mass447.13
IUPAC Name6-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-(1-methyl-4-pyrazolo[1,5-a]pyridin-7-ylpyrazol-3-yl)-3H-isoindol-1-one
SMILESCn1cc(-c2cccc3ccnn23)c(N2Cc3ccc(-c4nnc(C(F)F)o4)cc3C2=O)n1
InChIInChI=1S/C22H15F2N7O2/c1-29-11-16(17-4-2-3-14-7-8-25-31(14)17)19(28-29)30-10-13-6-5-12(9-15(13)22(30)32)20-26-27-21(33-20)18(23)24/h2-9,11,18H,10H2,1H3
InChIKeyMRWFMSDHTSTXCD-UHFFFAOYSA-N
XLogP3.88
TPSA94.35 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.41
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 6-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-(1-methyl-4-pyrazolo[1,5-a]pyridin-7-ylpyrazol-3-yl)-3H-isoindol-1-one with MolForge

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Related Compounds

6-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-[4-(5-fluoro-3-pyridinyl)-1-methylpyrazol-3-yl]-3H-isoindol-1-one
CID 137472446
6-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-[2-[3-(difluoromethyl)phenyl]phenyl]-3H-isoindol-1-one
CID 137472358
6-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-[2-(3-methoxyphenyl)phenyl]-3H-isoindol-1-one
CID 138597760
6-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-[2-(2-propan-2-yloxy-4-pyridinyl)phenyl]-3H-isoindol-1-one
CID 138597886
2-(2-bromo-4-fluorophenyl)-6-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3H-isoindol-1-one
CID 138597777
6-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-(2,3,4,5,6-pentafluoroanilino)-3H-isoindol-1-one
CID 162511091
2-[2-(5-chloro-2-methoxy-3-pyridinyl)phenyl]-6-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3H-isoindol-1-one
CID 138598160
6-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-[(4-fluorophenyl)methyl-methylamino]-3H-isoindol-1-one
CID 162511018
2-[(1R)-3,3-difluorocyclohexyl]-6-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3H-isoindol-1-one
CID 138626005
6-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-[methyl-[(3-pyrazin-2-ylphenyl)methyl]amino]-3H-isoindol-1-one
CID 162510985
N-[(1R,2R)-2-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-oxo-1H-isoindol-2-yl]cyclohexyl]oxane-4-carboxamide
CID 138597976
2-(3,4-difluoroanilino)-6-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3H-isoindol-1-one
CID 162510987

Frequently Asked Questions

What is the IUPAC name of 6-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-(1-methyl-4-pyrazolo[1,5-a]pyridin-7-ylpyrazol-3-yl)-3H-isoindol-1-one?
The IUPAC name of 6-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-(1-methyl-4-pyrazolo[1,5-a]pyridin-7-ylpyrazol-3-yl)-3H-isoindol-1-one (CID 138597941) is 6-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-(1-methyl-4-pyrazolo[1,5-a]pyridin-7-ylpyrazol-3-yl)-3H-isoindol-1-one.
What is the SMILES notation for 6-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-(1-methyl-4-pyrazolo[1,5-a]pyridin-7-ylpyrazol-3-yl)-3H-isoindol-1-one?
The canonical SMILES for 6-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-(1-methyl-4-pyrazolo[1,5-a]pyridin-7-ylpyrazol-3-yl)-3H-isoindol-1-one is Cn1cc(-c2cccc3ccnn23)c(N2Cc3ccc(-c4nnc(C(F)F)o4)cc3C2=O)n1.
What is the InChIKey of 6-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-(1-methyl-4-pyrazolo[1,5-a]pyridin-7-ylpyrazol-3-yl)-3H-isoindol-1-one?
The InChIKey is MRWFMSDHTSTXCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F2N7O2/c1-29-11-16(17-4-2-3-14-7-8-25-31(14)17)19(28-29)30-10-13-6-5-12(9-15(13)22(30)32)20-26-27-21(33-20)18(23)24/h2-9,11,18H,10H2,1H3.
What are the key properties of 6-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-(1-methyl-4-pyrazolo[1,5-a]pyridin-7-ylpyrazol-3-yl)-3H-isoindol-1-one?
6-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-(1-methyl-4-pyrazolo[1,5-a]pyridin-7-ylpyrazol-3-yl)-3H-isoindol-1-one has a molecular weight of 447.41 g/mol, XLogP of 3.88, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-(1-methyl-4-pyrazolo[1,5-a]pyridin-7-ylpyrazol-3-yl)-3H-isoindol-1-one is sourced from PubChem (CID 138597941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).