4-[2-(6-fluoro-5-methyl-1H-indazol-4-yl)-2-methylpropyl]-6-methyl-7-propan-2-yl-1H-indazole

C23H27FN4 — CID 170255099

IUPAC4-[2-(6-fluoro-5-methyl-1H-indazol-4-yl)-2-methylpropyl]-6-methyl-7-propan-2-yl-1H-indazole
SMILESCc1cc(CC(C)(C)c2c(C)c(F)cc3[nH]ncc23)c2cn[nH]c2c1C(C)C
InChIInChI=1S/C23H27FN4/c1-12(2)20-13(3)7-15(16-10-26-28-22(16)20)9-23(5,6)21-14(4)18(24)8-19-17(21)11-25-27-19/h7-8,10-12H,9H2,1-6H3,(H,25,27)(H,26,28)
InChIKeyJCSGMGHWTVEZEF-UHFFFAOYSA-N
MW378.50 g/mol
LogP5.84
Rot. Bonds4

About 4-[2-(6-fluoro-5-methyl-1H-indazol-4-yl)-2-methylpropyl]-6-methyl-7-propan-2-yl-1H-indazole

4-[2-(6-fluoro-5-methyl-1H-indazol-4-yl)-2-methylpropyl]-6-methyl-7-propan-2-yl-1H-indazole (PubChem CID 170255099) has the molecular formula C23H27FN4 and a molecular weight of 378.50 g/mol. Its IUPAC name is 4-[2-(6-fluoro-5-methyl-1H-indazol-4-yl)-2-methylpropyl]-6-methyl-7-propan-2-yl-1H-indazole.

Molecular Properties

Compound Name4-[2-(6-fluoro-5-methyl-1H-indazol-4-yl)-2-methylpropyl]-6-methyl-7-propan-2-yl-1H-indazole
PubChem CID170255099
Molecular FormulaC23H27FN4
Molecular Weight378.50 g/mol
Exact Mass378.22
IUPAC Name4-[2-(6-fluoro-5-methyl-1H-indazol-4-yl)-2-methylpropyl]-6-methyl-7-propan-2-yl-1H-indazole
SMILESCc1cc(CC(C)(C)c2c(C)c(F)cc3[nH]ncc23)c2cn[nH]c2c1C(C)C
InChIInChI=1S/C23H27FN4/c1-12(2)20-13(3)7-15(16-10-26-28-22(16)20)9-23(5,6)21-14(4)18(24)8-19-17(21)11-25-27-19/h7-8,10-12H,9H2,1-6H3,(H,25,27)(H,26,28)
InChIKeyJCSGMGHWTVEZEF-UHFFFAOYSA-N
XLogP5.84
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.50
LogP ≤ 55.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(6-fluoro-5-methyl-1H-indazol-4-yl)-2-methylpropyl]-6-methyl-7-propan-2-yl-1H-indazole?
The IUPAC name of 4-[2-(6-fluoro-5-methyl-1H-indazol-4-yl)-2-methylpropyl]-6-methyl-7-propan-2-yl-1H-indazole (CID 170255099) is 4-[2-(6-fluoro-5-methyl-1H-indazol-4-yl)-2-methylpropyl]-6-methyl-7-propan-2-yl-1H-indazole.
What is the SMILES notation for 4-[2-(6-fluoro-5-methyl-1H-indazol-4-yl)-2-methylpropyl]-6-methyl-7-propan-2-yl-1H-indazole?
The canonical SMILES for 4-[2-(6-fluoro-5-methyl-1H-indazol-4-yl)-2-methylpropyl]-6-methyl-7-propan-2-yl-1H-indazole is Cc1cc(CC(C)(C)c2c(C)c(F)cc3[nH]ncc23)c2cn[nH]c2c1C(C)C.
What is the InChIKey of 4-[2-(6-fluoro-5-methyl-1H-indazol-4-yl)-2-methylpropyl]-6-methyl-7-propan-2-yl-1H-indazole?
The InChIKey is JCSGMGHWTVEZEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN4/c1-12(2)20-13(3)7-15(16-10-26-28-22(16)20)9-23(5,6)21-14(4)18(24)8-19-17(21)11-25-27-19/h7-8,10-12H,9H2,1-6H3,(H,25,27)(H,26,28).
What are the key properties of 4-[2-(6-fluoro-5-methyl-1H-indazol-4-yl)-2-methylpropyl]-6-methyl-7-propan-2-yl-1H-indazole?
4-[2-(6-fluoro-5-methyl-1H-indazol-4-yl)-2-methylpropyl]-6-methyl-7-propan-2-yl-1H-indazole has a molecular weight of 378.50 g/mol, XLogP of 5.84, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(6-fluoro-5-methyl-1H-indazol-4-yl)-2-methylpropyl]-6-methyl-7-propan-2-yl-1H-indazole is sourced from PubChem (CID 170255099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).