8-(2-chloro-5-fluoro-4-methoxyphenyl)-N,N-bis(2-methoxyethyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine

C20H25ClFN5O3 — CID 42618199

IUPAC8-(2-chloro-5-fluoro-4-methoxyphenyl)-N,N-bis(2-methoxyethyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine
SMILESCOCCN(CCOC)c1nc(C)nc2c(-c3cc(F)c(OC)cc3Cl)c(C)nn12
InChIInChI=1S/C20H25ClFN5O3/c1-12-18(14-10-16(22)17(30-5)11-15(14)21)19-23-13(2)24-20(27(19)25-12)26(6-8-28-3)7-9-29-4/h10-11H,6-9H2,1-5H3
InChIKeyQZAWSGIHVOLHMR-UHFFFAOYSA-N
MW437.90 g/mol
LogP3.31
Rot. Bonds9

About 8-(2-chloro-5-fluoro-4-methoxyphenyl)-N,N-bis(2-methoxyethyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine

8-(2-chloro-5-fluoro-4-methoxyphenyl)-N,N-bis(2-methoxyethyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine (PubChem CID 42618199) has the molecular formula C20H25ClFN5O3 and a molecular weight of 437.90 g/mol. Its IUPAC name is 8-(2-chloro-5-fluoro-4-methoxyphenyl)-N,N-bis(2-methoxyethyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine.

Molecular Properties

Compound Name8-(2-chloro-5-fluoro-4-methoxyphenyl)-N,N-bis(2-methoxyethyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine
PubChem CID42618199
Molecular FormulaC20H25ClFN5O3
Molecular Weight437.90 g/mol
Exact Mass437.16
IUPAC Name8-(2-chloro-5-fluoro-4-methoxyphenyl)-N,N-bis(2-methoxyethyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine
SMILESCOCCN(CCOC)c1nc(C)nc2c(-c3cc(F)c(OC)cc3Cl)c(C)nn12
InChIInChI=1S/C20H25ClFN5O3/c1-12-18(14-10-16(22)17(30-5)11-15(14)21)19-23-13(2)24-20(27(19)25-12)26(6-8-28-3)7-9-29-4/h10-11H,6-9H2,1-5H3
InChIKeyQZAWSGIHVOLHMR-UHFFFAOYSA-N
XLogP3.31
TPSA74.01 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.90
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 8-(2-chloro-5-fluoro-4-methoxyphenyl)-N,N-bis(2-methoxyethyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine with MolForge

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Related Compounds

5H-Cyclopenta(d)pyrazolo(1,5-a)pyrimidin-8-amine, 3-(2-chloro-4-methoxyphenyl)-N-(1-ethylpropyl)-6,7-dihydro-2-methyl-
CID 9801039
Bms-561388
CID 9908904
Pyrazolo[1,5-a]-1,3,5-triazine, 12-35
CID 42618197
CP-671906
CID 9869041
Pyrazolo[1,5-a]-1,3,5-triazine, 12-1
CID 42618165
Pyrazolo[1,5-a]-1,3,5-triazine, 12-2
CID 42618166
Pyrazolo[1,5-a]-1,3,5-triazine, 12-4
CID 42618167
Pyrazolo[1,5-a]-1,3,5-triazine, 12-5
CID 42618168
Pyrazolo[1,5-a]-1,3,5-triazine, 12-6
CID 42618169
Pyrazolo[1,5-a]-1,3,5-triazine, 12-7
CID 42618170
Pyrazolo[1,5-a]-1,3,5-triazine, 12-8
CID 42618171
Pyrazolo[1,5-a]-1,3,5-triazine, 12-10
CID 42618173

Frequently Asked Questions

What is the IUPAC name of 8-(2-chloro-5-fluoro-4-methoxyphenyl)-N,N-bis(2-methoxyethyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
The IUPAC name of 8-(2-chloro-5-fluoro-4-methoxyphenyl)-N,N-bis(2-methoxyethyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine (CID 42618199) is 8-(2-chloro-5-fluoro-4-methoxyphenyl)-N,N-bis(2-methoxyethyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine.
What is the SMILES notation for 8-(2-chloro-5-fluoro-4-methoxyphenyl)-N,N-bis(2-methoxyethyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
The canonical SMILES for 8-(2-chloro-5-fluoro-4-methoxyphenyl)-N,N-bis(2-methoxyethyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine is COCCN(CCOC)c1nc(C)nc2c(-c3cc(F)c(OC)cc3Cl)c(C)nn12.
What is the InChIKey of 8-(2-chloro-5-fluoro-4-methoxyphenyl)-N,N-bis(2-methoxyethyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
The InChIKey is QZAWSGIHVOLHMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClFN5O3/c1-12-18(14-10-16(22)17(30-5)11-15(14)21)19-23-13(2)24-20(27(19)25-12)26(6-8-28-3)7-9-29-4/h10-11H,6-9H2,1-5H3.
What are the key properties of 8-(2-chloro-5-fluoro-4-methoxyphenyl)-N,N-bis(2-methoxyethyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
8-(2-chloro-5-fluoro-4-methoxyphenyl)-N,N-bis(2-methoxyethyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine has a molecular weight of 437.90 g/mol, XLogP of 3.31, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-chloro-5-fluoro-4-methoxyphenyl)-N,N-bis(2-methoxyethyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine is sourced from PubChem (CID 42618199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).