1-[(2-fluorophenyl)-(3-methylindazol-1-yl)methyl]-3-methylindazole

C23H19FN4 — CID 14962537

IUPAC1-[(2-fluorophenyl)-(3-methylindazol-1-yl)methyl]-3-methylindazole
SMILESCc1nn(C(c2ccccc2F)n2nc(C)c3ccccc32)c2ccccc12
InChIInChI=1S/C23H19FN4/c1-15-17-9-4-7-13-21(17)27(25-15)23(19-11-3-6-12-20(19)24)28-22-14-8-5-10-18(22)16(2)26-28/h3-14,23H,1-2H3
InChIKeyLUAKQMHQQJQNAW-UHFFFAOYSA-N
MW370.43 g/mol
LogP5.24
Rot. Bonds3

About 1-[(2-fluorophenyl)-(3-methylindazol-1-yl)methyl]-3-methylindazole

1-[(2-fluorophenyl)-(3-methylindazol-1-yl)methyl]-3-methylindazole (PubChem CID 14962537) has the molecular formula C23H19FN4 and a molecular weight of 370.43 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)-(3-methylindazol-1-yl)methyl]-3-methylindazole.

Molecular Properties

Compound Name1-[(2-fluorophenyl)-(3-methylindazol-1-yl)methyl]-3-methylindazole
PubChem CID14962537
Molecular FormulaC23H19FN4
Molecular Weight370.43 g/mol
Exact Mass370.16
IUPAC Name1-[(2-fluorophenyl)-(3-methylindazol-1-yl)methyl]-3-methylindazole
SMILESCc1nn(C(c2ccccc2F)n2nc(C)c3ccccc32)c2ccccc12
InChIInChI=1S/C23H19FN4/c1-15-17-9-4-7-13-21(17)27(25-15)23(19-11-3-6-12-20(19)24)28-22-14-8-5-10-18(22)16(2)26-28/h3-14,23H,1-2H3
InChIKeyLUAKQMHQQJQNAW-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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Related Compounds

CID 73504559
CID 73504559
CID 73504558
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CID 76311098
CID 76311098
CID 118568941
CID 118568941
CID 118568942
CID 118568942
CID 16188877
CID 16188877
CID 89628095
CID 89628095
CID 117739181
CID 117739181
CID 118937841
CID 118937841
CID 53245469
CID 53245469
CID 14185405
CID 14185405
CID 172447189
CID 172447189

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)-(3-methylindazol-1-yl)methyl]-3-methylindazole?
The IUPAC name of 1-[(2-fluorophenyl)-(3-methylindazol-1-yl)methyl]-3-methylindazole (CID 14962537) is 1-[(2-fluorophenyl)-(3-methylindazol-1-yl)methyl]-3-methylindazole.
What is the SMILES notation for 1-[(2-fluorophenyl)-(3-methylindazol-1-yl)methyl]-3-methylindazole?
The canonical SMILES for 1-[(2-fluorophenyl)-(3-methylindazol-1-yl)methyl]-3-methylindazole is Cc1nn(C(c2ccccc2F)n2nc(C)c3ccccc32)c2ccccc12.
What is the InChIKey of 1-[(2-fluorophenyl)-(3-methylindazol-1-yl)methyl]-3-methylindazole?
The InChIKey is LUAKQMHQQJQNAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN4/c1-15-17-9-4-7-13-21(17)27(25-15)23(19-11-3-6-12-20(19)24)28-22-14-8-5-10-18(22)16(2)26-28/h3-14,23H,1-2H3.
What are the key properties of 1-[(2-fluorophenyl)-(3-methylindazol-1-yl)methyl]-3-methylindazole?
1-[(2-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-[(2-fluorophenyl)-(3-methylindazol-1-yl)methyl]-3-methylindazole is sourced from PubChem (CID 14962537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).