N-(2-cyclohexyl-6-methylpyrimidin-4-yl)-5-fluoro-1H-indazol-3-amine

C18H20FN5 — CID 25016063

IUPACN-(2-cyclohexyl-6-methylpyrimidin-4-yl)-5-fluoro-1H-indazol-3-amine
SMILESCc1cc(Nc2n[nH]c3ccc(F)cc23)nc(C2CCCCC2)n1
InChIInChI=1S/C18H20FN5/c1-11-9-16(21-17(20-11)12-5-3-2-4-6-12)22-18-14-10-13(19)7-8-15(14)23-24-18/h7-10,12H,2-6H2,1H3,(H2,20,21,22,23,24)
InChIKeyNEXAGSGRVBOFPO-UHFFFAOYSA-N
MW325.39 g/mol
LogP4.59
Rot. Bonds3

About N-(2-cyclohexyl-6-methylpyrimidin-4-yl)-5-fluoro-1H-indazol-3-amine

N-(2-cyclohexyl-6-methylpyrimidin-4-yl)-5-fluoro-1H-indazol-3-amine (PubChem CID 25016063) has the molecular formula C18H20FN5 and a molecular weight of 325.39 g/mol. Its IUPAC name is N-(2-cyclohexyl-6-methylpyrimidin-4-yl)-5-fluoro-1H-indazol-3-amine.

Molecular Properties

Compound NameN-(2-cyclohexyl-6-methylpyrimidin-4-yl)-5-fluoro-1H-indazol-3-amine
PubChem CID25016063
Molecular FormulaC18H20FN5
Molecular Weight325.39 g/mol
Exact Mass325.17
IUPAC NameN-(2-cyclohexyl-6-methylpyrimidin-4-yl)-5-fluoro-1H-indazol-3-amine
SMILESCc1cc(Nc2n[nH]c3ccc(F)cc23)nc(C2CCCCC2)n1
InChIInChI=1S/C18H20FN5/c1-11-9-16(21-17(20-11)12-5-3-2-4-6-12)22-18-14-10-13(19)7-8-15(14)23-24-18/h7-10,12H,2-6H2,1H3,(H2,20,21,22,23,24)
InChIKeyNEXAGSGRVBOFPO-UHFFFAOYSA-N
XLogP4.59
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexyl-6-methylpyrimidin-4-yl)-5-fluoro-1H-indazol-3-amine?
The IUPAC name of N-(2-cyclohexyl-6-methylpyrimidin-4-yl)-5-fluoro-1H-indazol-3-amine (CID 25016063) is N-(2-cyclohexyl-6-methylpyrimidin-4-yl)-5-fluoro-1H-indazol-3-amine.
What is the SMILES notation for N-(2-cyclohexyl-6-methylpyrimidin-4-yl)-5-fluoro-1H-indazol-3-amine?
The canonical SMILES for N-(2-cyclohexyl-6-methylpyrimidin-4-yl)-5-fluoro-1H-indazol-3-amine is Cc1cc(Nc2n[nH]c3ccc(F)cc23)nc(C2CCCCC2)n1.
What is the InChIKey of N-(2-cyclohexyl-6-methylpyrimidin-4-yl)-5-fluoro-1H-indazol-3-amine?
The InChIKey is NEXAGSGRVBOFPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN5/c1-11-9-16(21-17(20-11)12-5-3-2-4-6-12)22-18-14-10-13(19)7-8-15(14)23-24-18/h7-10,12H,2-6H2,1H3,(H2,20,21,22,23,24).
What are the key properties of N-(2-cyclohexyl-6-methylpyrimidin-4-yl)-5-fluoro-1H-indazol-3-amine?
N-(2-cyclohexyl-6-methylpyrimidin-4-yl)-5-fluoro-1H-indazol-3-amine has a molecular weight of 325.39 g/mol, XLogP of 4.59, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexyl-6-methylpyrimidin-4-yl)-5-fluoro-1H-indazol-3-amine is sourced from PubChem (CID 25016063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).