6-fluoro-N-[5-methyl-2-(3-methylphenyl)pyrimidin-4-yl]-1H-indazol-5-amine

C19H16FN5 — CID 122589669

IUPAC6-fluoro-N-[5-methyl-2-(3-methylphenyl)pyrimidin-4-yl]-1H-indazol-5-amine
SMILESCc1cccc(-c2ncc(C)c(Nc3cc4cn[nH]c4cc3F)n2)c1
InChIInChI=1S/C19H16FN5/c1-11-4-3-5-13(6-11)19-21-9-12(2)18(24-19)23-17-7-14-10-22-25-16(14)8-15(17)20/h3-10H,1-2H3,(H,22,25)(H,21,23,24)
InChIKeyATSDJFJUGKDGOT-UHFFFAOYSA-N
MW333.37 g/mol
LogP4.52
Rot. Bonds3

About 6-fluoro-N-[5-methyl-2-(3-methylphenyl)pyrimidin-4-yl]-1H-indazol-5-amine

6-fluoro-N-[5-methyl-2-(3-methylphenyl)pyrimidin-4-yl]-1H-indazol-5-amine (PubChem CID 122589669) has the molecular formula C19H16FN5 and a molecular weight of 333.37 g/mol. Its IUPAC name is 6-fluoro-N-[5-methyl-2-(3-methylphenyl)pyrimidin-4-yl]-1H-indazol-5-amine.

Molecular Properties

Compound Name6-fluoro-N-[5-methyl-2-(3-methylphenyl)pyrimidin-4-yl]-1H-indazol-5-amine
PubChem CID122589669
Molecular FormulaC19H16FN5
Molecular Weight333.37 g/mol
Exact Mass333.14
IUPAC Name6-fluoro-N-[5-methyl-2-(3-methylphenyl)pyrimidin-4-yl]-1H-indazol-5-amine
SMILESCc1cccc(-c2ncc(C)c(Nc3cc4cn[nH]c4cc3F)n2)c1
InChIInChI=1S/C19H16FN5/c1-11-4-3-5-13(6-11)19-21-9-12(2)18(24-19)23-17-7-14-10-22-25-16(14)8-15(17)20/h3-10H,1-2H3,(H,22,25)(H,21,23,24)
InChIKeyATSDJFJUGKDGOT-UHFFFAOYSA-N
XLogP4.52
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.37
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-chloro-2-fluorophenyl)-5-methyl-N-pyridin-4-ylpyrimidin-4-amine;ethane;2-(2-fluorophenyl)-5-methyl-N-pyridin-4-ylpyrimidin-4-amine;5-methyl-2-(3-methylphenyl)-N-pyridin-4-ylpyrimidin-4-amine
CID 142902219
N-[2-(3,4-difluorophenyl)-5-methylpyrimidin-4-yl]-6-fluoro-1H-isoindol-5-amine
CID 153118191
(E)-N-(2-fluorocyclopropyl)-3-[3-[4-(1H-indazol-5-ylamino)-5-methylpyrimidin-2-yl]phenyl]prop-2-enamide
CID 166983780
N-[5-fluoro-2-(2-methyl-1,3-dihydroisoindol-5-yl)pyrimidin-4-yl]-6-methoxy-1H-indazol-5-amine
CID 166920643
(E)-N-(2,2-difluorocyclopropyl)-3-[3-[4-(1H-indazol-5-ylamino)-5-methylpyrimidin-2-yl]phenyl]prop-2-enamide
CID 166983879
4-N-(2-fluoro-5-methylphenyl)-5-methylpyrimidine-2,4-diamine
CID 80755372
N-[2-(3,4-difluorophenyl)-5-fluoropyrimidin-4-yl]-1H-indazol-5-amine
CID 122589652
N-[5-fluoro-2-(2-methyl-1H-indol-6-yl)pyrimidin-4-yl]-1H-indazol-5-amine
CID 166862856
4-methyl-5-(3-methylphenyl)-1H-pyrazole
CID 54111991
5-(1H-indazol-5-yl)-4-(3-methylphenyl)-1,3-thiazole
CID 122510941
N-[4-[[2-(3-acetylphenyl)-5-methylpyrimidin-4-yl]amino]phenyl]acetamide
CID 117083241
N-[2-(4-fluoro-3-methylphenyl)-5-methylpyrimidin-4-yl]-7H-pyrrolo[3,4-b]pyridin-3-amine
CID 152818572

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-[5-methyl-2-(3-methylphenyl)pyrimidin-4-yl]-1H-indazol-5-amine?
The IUPAC name of 6-fluoro-N-[5-methyl-2-(3-methylphenyl)pyrimidin-4-yl]-1H-indazol-5-amine (CID 122589669) is 6-fluoro-N-[5-methyl-2-(3-methylphenyl)pyrimidin-4-yl]-1H-indazol-5-amine.
What is the SMILES notation for 6-fluoro-N-[5-methyl-2-(3-methylphenyl)pyrimidin-4-yl]-1H-indazol-5-amine?
The canonical SMILES for 6-fluoro-N-[5-methyl-2-(3-methylphenyl)pyrimidin-4-yl]-1H-indazol-5-amine is Cc1cccc(-c2ncc(C)c(Nc3cc4cn[nH]c4cc3F)n2)c1.
What is the InChIKey of 6-fluoro-N-[5-methyl-2-(3-methylphenyl)pyrimidin-4-yl]-1H-indazol-5-amine?
The InChIKey is ATSDJFJUGKDGOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN5/c1-11-4-3-5-13(6-11)19-21-9-12(2)18(24-19)23-17-7-14-10-22-25-16(14)8-15(17)20/h3-10H,1-2H3,(H,22,25)(H,21,23,24).
What are the key properties of 6-fluoro-N-[5-methyl-2-(3-methylphenyl)pyrimidin-4-yl]-1H-indazol-5-amine?
6-fluoro-N-[5-methyl-2-(3-methylphenyl)pyrimidin-4-yl]-1H-indazol-5-amine has a molecular weight of 333.37 g/mol, XLogP of 4.52, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-[5-methyl-2-(3-methylphenyl)pyrimidin-4-yl]-1H-indazol-5-amine is sourced from PubChem (CID 122589669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).