1-[(4-fluorophenyl)-(3-methylindazol-1-yl)methyl]-3-methylindazole

C23H19FN4 — CID 14962538

IUPAC1-[(4-fluorophenyl)-(3-methylindazol-1-yl)methyl]-3-methylindazole
SMILESCc1nn(C(c2ccc(F)cc2)n2nc(C)c3ccccc32)c2ccccc12
InChIInChI=1S/C23H19FN4/c1-15-19-7-3-5-9-21(19)27(25-15)23(17-11-13-18(24)14-12-17)28-22-10-6-4-8-20(22)16(2)26-28/h3-14,23H,1-2H3
InChIKeyTTWSNXRXCYVIME-UHFFFAOYSA-N
MW370.43 g/mol
LogP5.24
Rot. Bonds3

About 1-[(4-fluorophenyl)-(3-methylindazol-1-yl)methyl]-3-methylindazole

1-[(4-fluorophenyl)-(3-methylindazol-1-yl)methyl]-3-methylindazole (PubChem CID 14962538) has the molecular formula C23H19FN4 and a molecular weight of 370.43 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)-(3-methylindazol-1-yl)methyl]-3-methylindazole.

Molecular Properties

Compound Name1-[(4-fluorophenyl)-(3-methylindazol-1-yl)methyl]-3-methylindazole
PubChem CID14962538
Molecular FormulaC23H19FN4
Molecular Weight370.43 g/mol
Exact Mass370.16
IUPAC Name1-[(4-fluorophenyl)-(3-methylindazol-1-yl)methyl]-3-methylindazole
SMILESCc1nn(C(c2ccc(F)cc2)n2nc(C)c3ccccc32)c2ccccc12
InChIInChI=1S/C23H19FN4/c1-15-19-7-3-5-9-21(19)27(25-15)23(17-11-13-18(24)14-12-17)28-22-10-6-4-8-20(22)16(2)26-28/h3-14,23H,1-2H3
InChIKeyTTWSNXRXCYVIME-UHFFFAOYSA-N
XLogP5.24
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.43
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)-(3-methylindazol-1-yl)methyl]-3-methylindazole?
The IUPAC name of 1-[(4-fluorophenyl)-(3-methylindazol-1-yl)methyl]-3-methylindazole (CID 14962538) is 1-[(4-fluorophenyl)-(3-methylindazol-1-yl)methyl]-3-methylindazole.
What is the SMILES notation for 1-[(4-fluorophenyl)-(3-methylindazol-1-yl)methyl]-3-methylindazole?
The canonical SMILES for 1-[(4-fluorophenyl)-(3-methylindazol-1-yl)methyl]-3-methylindazole is Cc1nn(C(c2ccc(F)cc2)n2nc(C)c3ccccc32)c2ccccc12.
What is the InChIKey of 1-[(4-fluorophenyl)-(3-methylindazol-1-yl)methyl]-3-methylindazole?
The InChIKey is TTWSNXRXCYVIME-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN4/c1-15-19-7-3-5-9-21(19)27(25-15)23(17-11-13-18(24)14-12-17)28-22-10-6-4-8-20(22)16(2)26-28/h3-14,23H,1-2H3.
What are the key properties of 1-[(4-fluorophenyl)-(3-methylindazol-1-yl)methyl]-3-methylindazole?
1-[(4-fluorophenyl)-(3-methylindazol-1-yl)methyl]-3-methylindazole has a molecular weight of 370.43 g/mol, XLogP of 5.24, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)-(3-methylindazol-1-yl)methyl]-3-methylindazole is sourced from PubChem (CID 14962538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).