N-[1-(2-chloro-7-fluoro-8-methylquinolin-3-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine

C18H15ClFN5 — CID 87337130

IUPACN-[1-(2-chloro-7-fluoro-8-methylquinolin-3-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1c(F)ccc2cc(C(C)Nc3ccnc4ccnn34)c(Cl)nc12
InChIInChI=1S/C18H15ClFN5/c1-10-14(20)4-3-12-9-13(18(19)24-17(10)12)11(2)23-16-5-7-21-15-6-8-22-25(15)16/h3-9,11,23H,1-2H3
InChIKeyWXOVXXVIYHHGJI-UHFFFAOYSA-N
MW355.80 g/mol
LogP4.55
Rot. Bonds3

About N-[1-(2-chloro-7-fluoro-8-methylquinolin-3-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine

N-[1-(2-chloro-7-fluoro-8-methylquinolin-3-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 87337130) has the molecular formula C18H15ClFN5 and a molecular weight of 355.80 g/mol. Its IUPAC name is N-[1-(2-chloro-7-fluoro-8-methylquinolin-3-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-[1-(2-chloro-7-fluoro-8-methylquinolin-3-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID87337130
Molecular FormulaC18H15ClFN5
Molecular Weight355.80 g/mol
Exact Mass355.10
IUPAC NameN-[1-(2-chloro-7-fluoro-8-methylquinolin-3-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1c(F)ccc2cc(C(C)Nc3ccnc4ccnn34)c(Cl)nc12
InChIInChI=1S/C18H15ClFN5/c1-10-14(20)4-3-12-9-13(18(19)24-17(10)12)11(2)23-16-5-7-21-15-6-8-22-25(15)16/h3-9,11,23H,1-2H3
InChIKeyWXOVXXVIYHHGJI-UHFFFAOYSA-N
XLogP4.55
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.80
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-(Difluoro(6-(1-methyl-1H-pyrazol-4-yl)-1,2,4-triazolo(4,3-b)pyridazin-3-yl)methyl)quinoline
CID 46911863
PF-04254644
CID 24871823
Unc569
CID 53355503
4-(6-(4-(1-Piperazinyl)phenyl)pyrazolo(1,5-a)pyrimidin-3-yl)quinoline
CID 25195294
Benzo[c]-2,6-naphthyridin-5-amine, N-(2-chlorophenyl)-7-(1H-1,2,4-triazol-5-yl)-
CID 44222958
5-(2,3-dichlorophenyl)-N-(pyridin-4-ylmethyl)pyrazolo(1,5-a)pyrimidin-7-amine
CID 21066087
5-(2-fluorophenyl)-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 21066096
1-(1-methylethyl)-3-quinolin-6-yl-1H-pyrazolo(3,4-d)pyrimidin-4-amine
CID 24905152
N-((2-aminopyrimidin-5-yl)methyl)-5-(2,6-difluorophenyl)-3-ethylpyrazolo(1,5-a)pyrimidin-7-amine
CID 44629554
Vlx-600
CID 6410104
AHR antagonist 5 free base
CID 140944699
4-[3-(3-Chloro-4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-6-yl]pyridine
CID 5329464

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chloro-7-fluoro-8-methylquinolin-3-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-[1-(2-chloro-7-fluoro-8-methylquinolin-3-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine (CID 87337130) is N-[1-(2-chloro-7-fluoro-8-methylquinolin-3-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-[1-(2-chloro-7-fluoro-8-methylquinolin-3-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-[1-(2-chloro-7-fluoro-8-methylquinolin-3-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine is Cc1c(F)ccc2cc(C(C)Nc3ccnc4ccnn34)c(Cl)nc12.
What is the InChIKey of N-[1-(2-chloro-7-fluoro-8-methylquinolin-3-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is WXOVXXVIYHHGJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClFN5/c1-10-14(20)4-3-12-9-13(18(19)24-17(10)12)11(2)23-16-5-7-21-15-6-8-22-25(15)16/h3-9,11,23H,1-2H3.
What are the key properties of N-[1-(2-chloro-7-fluoro-8-methylquinolin-3-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine?
N-[1-(2-chloro-7-fluoro-8-methylquinolin-3-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 355.80 g/mol, XLogP of 4.55, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chloro-7-fluoro-8-methylquinolin-3-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 87337130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).