N-[1-(4-chloro-5-fluoro-2-methoxyphenyl)ethyl]-3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine

C19H20ClFN6O2 — CID 166996972

IUPACN-[1-(4-chloro-5-fluoro-2-methoxyphenyl)ethyl]-3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine
SMILESCOc1cc(Cl)c(F)cc1C(C)Nc1ccn2ncc(C3=NC(C)(C)ON3)c2n1
InChIInChI=1S/C19H20ClFN6O2/c1-10(11-7-14(21)13(20)8-15(11)28-4)23-16-5-6-27-18(24-16)12(9-22-27)17-25-19(2,3)29-26-17/h5-10H,1-4H3,(H,23,24)(H,25,26)
InChIKeyJFNQCKLPNJEYAH-UHFFFAOYSA-N
MW418.86 g/mol
LogP3.72
Rot. Bonds5

About N-[1-(4-chloro-5-fluoro-2-methoxyphenyl)ethyl]-3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine

N-[1-(4-chloro-5-fluoro-2-methoxyphenyl)ethyl]-3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine (PubChem CID 166996972) has the molecular formula C19H20ClFN6O2 and a molecular weight of 418.86 g/mol. Its IUPAC name is N-[1-(4-chloro-5-fluoro-2-methoxyphenyl)ethyl]-3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine.

Molecular Properties

Compound NameN-[1-(4-chloro-5-fluoro-2-methoxyphenyl)ethyl]-3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine
PubChem CID166996972
Molecular FormulaC19H20ClFN6O2
Molecular Weight418.86 g/mol
Exact Mass418.13
IUPAC NameN-[1-(4-chloro-5-fluoro-2-methoxyphenyl)ethyl]-3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine
SMILESCOc1cc(Cl)c(F)cc1C(C)Nc1ccn2ncc(C3=NC(C)(C)ON3)c2n1
InChIInChI=1S/C19H20ClFN6O2/c1-10(11-7-14(21)13(20)8-15(11)28-4)23-16-5-6-27-18(24-16)12(9-22-27)17-25-19(2,3)29-26-17/h5-10H,1-4H3,(H,23,24)(H,25,26)
InChIKeyJFNQCKLPNJEYAH-UHFFFAOYSA-N
XLogP3.72
TPSA85.07 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.86
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)-N-[(1R)-1-(7-fluoroisoquinolin-5-yl)ethyl]pyrazolo[1,5-a]pyrimidin-5-amine
CID 164710778
3-(5,5-dimethyl-1,2-dihydro-1,2,4-triazol-3-yl)-N-[(1R)-1-(5-fluoro-2-methoxyphenyl)ethyl]pyrazolo[1,5-a]pyrimidin-5-amine
CID 164710807
N-[(1R)-1-(5-fluoro-2-methoxyphenyl)ethyl]-3-[(5R)-5-methyl-5-pyridin-2-yl-2H-1,2,4-oxadiazol-3-yl]pyrazolo[1,5-a]pyrimidin-5-amine;N-[(1R)-1-(5-fluoro-2-methoxyphenyl)ethyl]-3-[(5S)-5-methyl-5-pyridin-2-yl-2H-1,2,4-oxadiazol-3-yl]pyrazolo[1,5-a]pyrimidin-5-amine
CID 164971596
3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)-N-[1-(7-fluoroquinoxalin-5-yl)ethyl]pyrazolo[1,5-a]pyrimidin-5-amine
CID 166996871
N-[(3-chloro-5-fluoro-2-methoxyphenyl)methyl]-3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine
CID 155279120
2-[5-[[(1R)-1-(5-fluoro-2-methoxyphenyl)ethyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]-4,4-dimethyl-1H-imidazol-5-one
CID 170680071
3-[5-[(1R)-1-(5-fluoro-2-methoxyphenyl)ethyl]sulfonylpyrazolo[1,5-a]pyrimidin-3-yl]-5,5-dimethyl-2H-1,2,4-oxadiazole
CID 164710816
[3-[5-[1-(5-fluoro-2-methoxyphenyl)ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-8-yl]-pyrrolidin-1-ylmethanone
CID 166996618
5-[[(1R)-1-[2-(difluoromethoxy)-5-fluorophenyl]ethyl]amino]-N'-hydroxypyrazolo[1,5-a]pyrimidine-3-carboximidamide;N-[(1R)-1-[2-(difluoromethoxy)-5-fluorophenyl]ethyl]-3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;2,2-dimethoxypropane
CID 172989164
N-[(1R)-1-(2-bromo-5-fluorophenyl)ethyl]-3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;3-[5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyrazolo[1,5-a]pyrimidin-3-yl]-5,5-dimethyl-2H-1,2,4-oxadiazole;3-[5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethyl]sulfanylpyrazolo[1,5-a]pyrimidin-3-yl]-5,5-dimethyl-2H-1,2,4-oxadiazole;2-[(1R)-1-[[3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]ethyl]-4-fluoro-N-methylbenzamide;3-[5-[(1R)-1-(5-fluoro-2-methoxyphenyl)ethoxy]pyrazolo[1,5-a]pyrimidin-3-yl]-5,5-dimethyl-2H-1,2,4-oxadiazole;3-[5-[(1R)-1-(5-fluoro-2-methoxyphenyl)ethyl]sulfanylpyrazolo[1,5-a]pyrimidin-3-yl]-5,5-dimethyl-2H-1,2,4-oxadiazole;methyl 2-[(1R)-1-[[3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]ethyl]-4-fluorobenzoate
CID 165040592
3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)-N-[(1R)-1-(2-ethoxy-5-fluorophenyl)ethyl]pyrazolo[1,5-a]pyrimidin-5-amine;3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)-N-[(1R)-1-(2-ethyl-5-fluorophenyl)ethyl]pyrazolo[1,5-a]pyrimidin-5-amine;3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)-N-[(1R)-1-(4-fluoro-1-methoxynaphthalen-2-yl)ethyl]pyrazolo[1,5-a]pyrimidin-5-amine;3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)-N-[(1R)-1-(5-fluoro-2-methoxy-3-pyridinyl)ethyl]pyrazolo[1,5-a]pyrimidin-5-amine;3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)-N-[(1R)-1-(3-fluoronaphthalen-1-yl)ethyl]pyrazolo[1,5-a]pyrimidin-5-amine;3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)-N-[(1R)-1-(5-fluoro-2-propan-2-yloxyphenyl)ethyl]pyrazolo[1,5-a]pyrimidin-5-amine;N-[(1R)-1-(5-fluoro-2-methoxyphenyl)ethyl]-3-(1-oxa-2,4-diazaspiro[4.5]dec-3-en-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine
CID 165102789
3-N-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-5-N-[(1R)-1-(5-fluoro-2-methoxyphenyl)ethyl]pyrazolo[1,5-a]pyrimidine-3,5-diamine
CID 170680033

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chloro-5-fluoro-2-methoxyphenyl)ethyl]-3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine?
The IUPAC name of N-[1-(4-chloro-5-fluoro-2-methoxyphenyl)ethyl]-3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine (CID 166996972) is N-[1-(4-chloro-5-fluoro-2-methoxyphenyl)ethyl]-3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine.
What is the SMILES notation for N-[1-(4-chloro-5-fluoro-2-methoxyphenyl)ethyl]-3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine?
The canonical SMILES for N-[1-(4-chloro-5-fluoro-2-methoxyphenyl)ethyl]-3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine is COc1cc(Cl)c(F)cc1C(C)Nc1ccn2ncc(C3=NC(C)(C)ON3)c2n1.
What is the InChIKey of N-[1-(4-chloro-5-fluoro-2-methoxyphenyl)ethyl]-3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine?
The InChIKey is JFNQCKLPNJEYAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClFN6O2/c1-10(11-7-14(21)13(20)8-15(11)28-4)23-16-5-6-27-18(24-16)12(9-22-27)17-25-19(2,3)29-26-17/h5-10H,1-4H3,(H,23,24)(H,25,26).
What are the key properties of N-[1-(4-chloro-5-fluoro-2-methoxyphenyl)ethyl]-3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine?
N-[1-(4-chloro-5-fluoro-2-methoxyphenyl)ethyl]-3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine has a molecular weight of 418.86 g/mol, XLogP of 3.72, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chloro-5-fluoro-2-methoxyphenyl)ethyl]-3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine is sourced from PubChem (CID 166996972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).