1-[2-fluoro-5-[5-(2-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)-1,2,4-oxadiazol-3-yl]phenyl]-N,N-dimethylmethanamine

C18H20FN5O2 — CID 166293110

IUPAC1-[2-fluoro-5-[5-(2-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)-1,2,4-oxadiazol-3-yl]phenyl]-N,N-dimethylmethanamine
SMILESCN(C)Cc1cc(-c2noc(-c3c4c(nn3C)CCOC4)n2)ccc1F
InChIInChI=1S/C18H20FN5O2/c1-23(2)9-12-8-11(4-5-14(12)19)17-20-18(26-22-17)16-13-10-25-7-6-15(13)21-24(16)3/h4-5,8H,6-7,9-10H2,1-3H3
InChIKeyVKDFJHKPEFBGPU-UHFFFAOYSA-N
MW357.39 g/mol
LogP2.41
Rot. Bonds4

About 1-[2-fluoro-5-[5-(2-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)-1,2,4-oxadiazol-3-yl]phenyl]-N,N-dimethylmethanamine

1-[2-fluoro-5-[5-(2-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)-1,2,4-oxadiazol-3-yl]phenyl]-N,N-dimethylmethanamine (PubChem CID 166293110) has the molecular formula C18H20FN5O2 and a molecular weight of 357.39 g/mol. Its IUPAC name is 1-[2-fluoro-5-[5-(2-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)-1,2,4-oxadiazol-3-yl]phenyl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[2-fluoro-5-[5-(2-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)-1,2,4-oxadiazol-3-yl]phenyl]-N,N-dimethylmethanamine
PubChem CID166293110
Molecular FormulaC18H20FN5O2
Molecular Weight357.39 g/mol
Exact Mass357.16
IUPAC Name1-[2-fluoro-5-[5-(2-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)-1,2,4-oxadiazol-3-yl]phenyl]-N,N-dimethylmethanamine
SMILESCN(C)Cc1cc(-c2noc(-c3c4c(nn3C)CCOC4)n2)ccc1F
InChIInChI=1S/C18H20FN5O2/c1-23(2)9-12-8-11(4-5-14(12)19)17-20-18(26-22-17)16-13-10-25-7-6-15(13)21-24(16)3/h4-5,8H,6-7,9-10H2,1-3H3
InChIKeyVKDFJHKPEFBGPU-UHFFFAOYSA-N
XLogP2.41
TPSA69.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.39
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-5-[5-(2-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)-1,2,4-oxadiazol-3-yl]phenyl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[2-fluoro-5-[5-(2-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)-1,2,4-oxadiazol-3-yl]phenyl]-N,N-dimethylmethanamine (CID 166293110) is 1-[2-fluoro-5-[5-(2-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)-1,2,4-oxadiazol-3-yl]phenyl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[2-fluoro-5-[5-(2-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)-1,2,4-oxadiazol-3-yl]phenyl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[2-fluoro-5-[5-(2-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)-1,2,4-oxadiazol-3-yl]phenyl]-N,N-dimethylmethanamine is CN(C)Cc1cc(-c2noc(-c3c4c(nn3C)CCOC4)n2)ccc1F.
What is the InChIKey of 1-[2-fluoro-5-[5-(2-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)-1,2,4-oxadiazol-3-yl]phenyl]-N,N-dimethylmethanamine?
The InChIKey is VKDFJHKPEFBGPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN5O2/c1-23(2)9-12-8-11(4-5-14(12)19)17-20-18(26-22-17)16-13-10-25-7-6-15(13)21-24(16)3/h4-5,8H,6-7,9-10H2,1-3H3.
What are the key properties of 1-[2-fluoro-5-[5-(2-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)-1,2,4-oxadiazol-3-yl]phenyl]-N,N-dimethylmethanamine?
1-[2-fluoro-5-[5-(2-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)-1,2,4-oxadiazol-3-yl]phenyl]-N,N-dimethylmethanamine has a molecular weight of 357.39 g/mol, XLogP of 2.41, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-5-[5-(2-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)-1,2,4-oxadiazol-3-yl]phenyl]-N,N-dimethylmethanamine is sourced from PubChem (CID 166293110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).