N-[2-(2-fluoro-5-methylphenyl)pyrimidin-4-yl]-1H-indazol-5-amine

C18H14FN5 — CID 122589674

IUPACN-[2-(2-fluoro-5-methylphenyl)pyrimidin-4-yl]-1H-indazol-5-amine
SMILESCc1ccc(F)c(-c2nccc(Nc3ccc4[nH]ncc4c3)n2)c1
InChIInChI=1S/C18H14FN5/c1-11-2-4-15(19)14(8-11)18-20-7-6-17(23-18)22-13-3-5-16-12(9-13)10-21-24-16/h2-10H,1H3,(H,21,24)(H,20,22,23)
InChIKeyXBZPRUHOUUOUEB-UHFFFAOYSA-N
MW319.34 g/mol
LogP4.21
Rot. Bonds3

About N-[2-(2-fluoro-5-methylphenyl)pyrimidin-4-yl]-1H-indazol-5-amine

N-[2-(2-fluoro-5-methylphenyl)pyrimidin-4-yl]-1H-indazol-5-amine (PubChem CID 122589674) has the molecular formula C18H14FN5 and a molecular weight of 319.34 g/mol. Its IUPAC name is N-[2-(2-fluoro-5-methylphenyl)pyrimidin-4-yl]-1H-indazol-5-amine.

Molecular Properties

Compound NameN-[2-(2-fluoro-5-methylphenyl)pyrimidin-4-yl]-1H-indazol-5-amine
PubChem CID122589674
Molecular FormulaC18H14FN5
Molecular Weight319.34 g/mol
Exact Mass319.12
IUPAC NameN-[2-(2-fluoro-5-methylphenyl)pyrimidin-4-yl]-1H-indazol-5-amine
SMILESCc1ccc(F)c(-c2nccc(Nc3ccc4[nH]ncc4c3)n2)c1
InChIInChI=1S/C18H14FN5/c1-11-2-4-15(19)14(8-11)18-20-7-6-17(23-18)22-13-3-5-16-12(9-13)10-21-24-16/h2-10H,1H3,(H,21,24)(H,20,22,23)
InChIKeyXBZPRUHOUUOUEB-UHFFFAOYSA-N
XLogP4.21
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.34
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[4-(1-aminoethyl)phenyl]pyrimidin-4-yl]-1H-indazol-5-amine
CID 90095924
N-(4-fluorophenyl)-1H-indazol-5-amine
CID 91229030
N-(2-chloro-5-fluoropyrimidin-4-yl)-1H-indazol-5-amine
CID 22060782
2-fluoro-N-(1H-indazol-5-yl)-4-methylbenzamide
CID 79771081
N-(1H-indazol-5-yl)-7-methyl-2-pyridin-4-ylquinazolin-4-amine
CID 10154992
(Z)-2-amino-3-[5-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-1,2-dihydropyridin-2-yl]prop-2-enal
CID 137384166
ethane;5-methyl-1H-indazole
CID 178026047
N-[2-(3,4-difluorophenyl)-5-fluoropyrimidin-4-yl]-1H-indazol-5-amine
CID 122589652
N-[5-(2,3-difluorophenyl)-2-pyridinyl]-1H-indazol-5-amine
CID 162631226
2-N-(1H-indazol-5-yl)-4-N-quinolin-3-ylpyrimidine-2,4-diamine
CID 86210861
N-[2-(2-isoquinolin-3-yl-1H-indol-6-yl)pyrimidin-4-yl]-1H-indazol-5-amine
CID 137387403
2-(5-chloropyridazin-4-yl)-1-[6-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-1H-indol-2-yl]ethanone
CID 147495090

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluoro-5-methylphenyl)pyrimidin-4-yl]-1H-indazol-5-amine?
The IUPAC name of N-[2-(2-fluoro-5-methylphenyl)pyrimidin-4-yl]-1H-indazol-5-amine (CID 122589674) is N-[2-(2-fluoro-5-methylphenyl)pyrimidin-4-yl]-1H-indazol-5-amine.
What is the SMILES notation for N-[2-(2-fluoro-5-methylphenyl)pyrimidin-4-yl]-1H-indazol-5-amine?
The canonical SMILES for N-[2-(2-fluoro-5-methylphenyl)pyrimidin-4-yl]-1H-indazol-5-amine is Cc1ccc(F)c(-c2nccc(Nc3ccc4[nH]ncc4c3)n2)c1.
What is the InChIKey of N-[2-(2-fluoro-5-methylphenyl)pyrimidin-4-yl]-1H-indazol-5-amine?
The InChIKey is XBZPRUHOUUOUEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN5/c1-11-2-4-15(19)14(8-11)18-20-7-6-17(23-18)22-13-3-5-16-12(9-13)10-21-24-16/h2-10H,1H3,(H,21,24)(H,20,22,23).
What are the key properties of N-[2-(2-fluoro-5-methylphenyl)pyrimidin-4-yl]-1H-indazol-5-amine?
N-[2-(2-fluoro-5-methylphenyl)pyrimidin-4-yl]-1H-indazol-5-amine has a molecular weight of 319.34 g/mol, XLogP of 4.21, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluoro-5-methylphenyl)pyrimidin-4-yl]-1H-indazol-5-amine is sourced from PubChem (CID 122589674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).