5-chloro-6-(2-chloro-4-fluorophenyl)-3-(methoxymethyl)-N-(1,1,1-trifluoropropan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine

C17H14Cl2F4N4O — CID 58949550

IUPAC5-chloro-6-(2-chloro-4-fluorophenyl)-3-(methoxymethyl)-N-(1,1,1-trifluoropropan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCOCc1cnn2c(NC(C)C(F)(F)F)c(-c3ccc(F)cc3Cl)c(Cl)nc12
InChIInChI=1S/C17H14Cl2F4N4O/c1-8(17(21,22)23)25-16-13(11-4-3-10(20)5-12(11)18)14(19)26-15-9(7-28-2)6-24-27(15)16/h3-6,8,25H,7H2,1-2H3
InChIKeyJTZFGMPFOOXSMW-UHFFFAOYSA-N
MW437.22 g/mol
LogP5.35
Rot. Bonds5

About 5-chloro-6-(2-chloro-4-fluorophenyl)-3-(methoxymethyl)-N-(1,1,1-trifluoropropan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine

5-chloro-6-(2-chloro-4-fluorophenyl)-3-(methoxymethyl)-N-(1,1,1-trifluoropropan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 58949550) has the molecular formula C17H14Cl2F4N4O and a molecular weight of 437.22 g/mol. Its IUPAC name is 5-chloro-6-(2-chloro-4-fluorophenyl)-3-(methoxymethyl)-N-(1,1,1-trifluoropropan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-chloro-6-(2-chloro-4-fluorophenyl)-3-(methoxymethyl)-N-(1,1,1-trifluoropropan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID58949550
Molecular FormulaC17H14Cl2F4N4O
Molecular Weight437.22 g/mol
Exact Mass436.05
IUPAC Name5-chloro-6-(2-chloro-4-fluorophenyl)-3-(methoxymethyl)-N-(1,1,1-trifluoropropan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCOCc1cnn2c(NC(C)C(F)(F)F)c(-c3ccc(F)cc3Cl)c(Cl)nc12
InChIInChI=1S/C17H14Cl2F4N4O/c1-8(17(21,22)23)25-16-13(11-4-3-10(20)5-12(11)18)14(19)26-15-9(7-28-2)6-24-27(15)16/h3-6,8,25H,7H2,1-2H3
InChIKeyJTZFGMPFOOXSMW-UHFFFAOYSA-N
XLogP5.35
TPSA51.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.22
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-chloro-6-(2-chloro-4-fluorophenyl)-3-(methoxymethyl)-N-(1,1,1-trifluoropropan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine with MolForge

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Related Compounds

5-chloro-6-(2-chloro-4-fluorophenyl)-7-(3,3-dimethylbutan-2-ylamino)-N'-hydroxypyrazolo[1,5-a]pyrimidine-3-carboximidamide
CID 135481001
5-chloro-6-(2-chloro-6-fluorophenyl)-3-(methyliminomethyl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 142844280
5-chloro-6-(2,4,6-trifluorophenyl)-N-(1,1,1-trifluoropropan-2-yl)triazolo[1,5-a]pyrimidin-7-amine
CID 149159512
3-[4-[5-chloro-7-[[(2R)-1,1,1-trifluoropropan-2-yl]amino]-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-3,5-difluorophenoxy]propan-1-ol
CID 11430883
5-chloro-3-methyl-N-propan-2-yl-6-(2,4,6-trifluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 89343246
5-chloro-6-(2-chloro-4-fluorophenyl)-3-(5,6-dihydro-2H-1,2,4-oxadiazin-3-yl)-N-[(2R)-3,3-dimethylbutan-2-yl]pyrazolo[1,5-a]pyridin-7-amine;5-chloro-6-(2-chloro-4-fluorophenyl)-N-[(2R)-3,3-dimethylbutan-2-yl]-3-(2H-1,2,4-oxadiazin-3-yl)pyrazolo[1,5-a]pyridin-7-amine
CID 157456100
4-chloro-2-(2-chloro-4-fluorophenyl)-6-(methoxymethyl)pyrimidine
CID 62944668
2-(2-chloro-4-fluorophenyl)-4-(methoxymethyl)-1,3-thiazole
CID 107511921
(E)-N-[5-chloro-6-(2-chloro-4-fluorophenyl)-3-(1,3-oxazol-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-3,3-dimethylbutan-2-imine
CID 143095632
5-chloro-6-[2,6-difluoro-4-[1-(methylamino)ethoxy]phenyl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 89203292
5-chloro-6-[4-[3-(ethylamino)propoxy]-2,6-difluorophenyl]-N-(1,1,1-trifluoropropan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 72963288
5-(2-chloro-4-fluorophenyl)-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 135350582

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-(2-chloro-4-fluorophenyl)-3-(methoxymethyl)-N-(1,1,1-trifluoropropan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-chloro-6-(2-chloro-4-fluorophenyl)-3-(methoxymethyl)-N-(1,1,1-trifluoropropan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 58949550) is 5-chloro-6-(2-chloro-4-fluorophenyl)-3-(methoxymethyl)-N-(1,1,1-trifluoropropan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-chloro-6-(2-chloro-4-fluorophenyl)-3-(methoxymethyl)-N-(1,1,1-trifluoropropan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-chloro-6-(2-chloro-4-fluorophenyl)-3-(methoxymethyl)-N-(1,1,1-trifluoropropan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine is COCc1cnn2c(NC(C)C(F)(F)F)c(-c3ccc(F)cc3Cl)c(Cl)nc12.
What is the InChIKey of 5-chloro-6-(2-chloro-4-fluorophenyl)-3-(methoxymethyl)-N-(1,1,1-trifluoropropan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is JTZFGMPFOOXSMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2F4N4O/c1-8(17(21,22)23)25-16-13(11-4-3-10(20)5-12(11)18)14(19)26-15-9(7-28-2)6-24-27(15)16/h3-6,8,25H,7H2,1-2H3.
What are the key properties of 5-chloro-6-(2-chloro-4-fluorophenyl)-3-(methoxymethyl)-N-(1,1,1-trifluoropropan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
5-chloro-6-(2-chloro-4-fluorophenyl)-3-(methoxymethyl)-N-(1,1,1-trifluoropropan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 437.22 g/mol, XLogP of 5.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-(2-chloro-4-fluorophenyl)-3-(methoxymethyl)-N-(1,1,1-trifluoropropan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 58949550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).