N-(2-chloropyrimidin-4-yl)-5-fluoro-1H-indazol-3-amine

C11H7ClFN5 — CID 87388058

IUPACN-(2-chloropyrimidin-4-yl)-5-fluoro-1H-indazol-3-amine
SMILESFc1ccc2[nH]nc(Nc3ccnc(Cl)n3)c2c1
InChIInChI=1S/C11H7ClFN5/c12-11-14-4-3-9(16-11)15-10-7-5-6(13)1-2-8(7)17-18-10/h1-5H,(H2,14,15,16,17,18)
InChIKeyINYZJFSYTSZTEF-UHFFFAOYSA-N
MW263.66 g/mol
LogP2.89
Rot. Bonds2

About N-(2-chloropyrimidin-4-yl)-5-fluoro-1H-indazol-3-amine

N-(2-chloropyrimidin-4-yl)-5-fluoro-1H-indazol-3-amine (PubChem CID 87388058) has the molecular formula C11H7ClFN5 and a molecular weight of 263.66 g/mol. Its IUPAC name is N-(2-chloropyrimidin-4-yl)-5-fluoro-1H-indazol-3-amine.

Molecular Properties

Compound NameN-(2-chloropyrimidin-4-yl)-5-fluoro-1H-indazol-3-amine
PubChem CID87388058
Molecular FormulaC11H7ClFN5
Molecular Weight263.66 g/mol
Exact Mass263.04
IUPAC NameN-(2-chloropyrimidin-4-yl)-5-fluoro-1H-indazol-3-amine
SMILESFc1ccc2[nH]nc(Nc3ccnc(Cl)n3)c2c1
InChIInChI=1S/C11H7ClFN5/c12-11-14-4-3-9(16-11)15-10-7-5-6(13)1-2-8(7)17-18-10/h1-5H,(H2,14,15,16,17,18)
InChIKeyINYZJFSYTSZTEF-UHFFFAOYSA-N
XLogP2.89
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.66
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Cgp 57380
CID 11644425
Pyrazolo[1,5-b]pyridazine deriv. 35
CID 6539377
5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 741597
5-(2-fluorophenyl)-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 21066096
N-[2-(5-methyl-4H-1,2,4-triazol-3-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 24798741
Dsm-74
CID 25263414
N-((2-aminopyrimidin-5-yl)methyl)-5-(2,6-difluorophenyl)-3-ethylpyrazolo(1,5-a)pyrimidin-7-amine
CID 44629554
4-(1H-indol-3-yl)pyrimidin-2-amine
CID 400433
(8-Fluoro-5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)hydrazine
CID 6401723
Vlx-600
CID 6410104
CID 138105936
CID 138105936
N-(3-fluoro-4-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 653193

Frequently Asked Questions

What is the IUPAC name of N-(2-chloropyrimidin-4-yl)-5-fluoro-1H-indazol-3-amine?
The IUPAC name of N-(2-chloropyrimidin-4-yl)-5-fluoro-1H-indazol-3-amine (CID 87388058) is N-(2-chloropyrimidin-4-yl)-5-fluoro-1H-indazol-3-amine.
What is the SMILES notation for N-(2-chloropyrimidin-4-yl)-5-fluoro-1H-indazol-3-amine?
The canonical SMILES for N-(2-chloropyrimidin-4-yl)-5-fluoro-1H-indazol-3-amine is Fc1ccc2[nH]nc(Nc3ccnc(Cl)n3)c2c1.
What is the InChIKey of N-(2-chloropyrimidin-4-yl)-5-fluoro-1H-indazol-3-amine?
The InChIKey is INYZJFSYTSZTEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClFN5/c12-11-14-4-3-9(16-11)15-10-7-5-6(13)1-2-8(7)17-18-10/h1-5H,(H2,14,15,16,17,18).
What are the key properties of N-(2-chloropyrimidin-4-yl)-5-fluoro-1H-indazol-3-amine?
N-(2-chloropyrimidin-4-yl)-5-fluoro-1H-indazol-3-amine has a molecular weight of 263.66 g/mol, XLogP of 2.89, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloropyrimidin-4-yl)-5-fluoro-1H-indazol-3-amine is sourced from PubChem (CID 87388058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).