methyl 5-fluoro-1-[(5-phenylthiophen-2-yl)methyl]indazole-7-carboxylate

C20H15FN2O2S — CID 166161763

IUPACmethyl 5-fluoro-1-[(5-phenylthiophen-2-yl)methyl]indazole-7-carboxylate
SMILESCOC(=O)c1cc(F)cc2cnn(Cc3ccc(-c4ccccc4)s3)c12
InChIInChI=1S/C20H15FN2O2S/c1-25-20(24)17-10-15(21)9-14-11-22-23(19(14)17)12-16-7-8-18(26-16)13-5-3-2-4-6-13/h2-11H,12H2,1H3
InChIKeyMXNNWZRNNDQHQP-UHFFFAOYSA-N
MW366.42 g/mol
LogP4.74
Rot. Bonds4

About methyl 5-fluoro-1-[(5-phenylthiophen-2-yl)methyl]indazole-7-carboxylate

methyl 5-fluoro-1-[(5-phenylthiophen-2-yl)methyl]indazole-7-carboxylate (PubChem CID 166161763) has the molecular formula C20H15FN2O2S and a molecular weight of 366.42 g/mol. Its IUPAC name is methyl 5-fluoro-1-[(5-phenylthiophen-2-yl)methyl]indazole-7-carboxylate.

Molecular Properties

Compound Namemethyl 5-fluoro-1-[(5-phenylthiophen-2-yl)methyl]indazole-7-carboxylate
PubChem CID166161763
Molecular FormulaC20H15FN2O2S
Molecular Weight366.42 g/mol
Exact Mass366.08
IUPAC Namemethyl 5-fluoro-1-[(5-phenylthiophen-2-yl)methyl]indazole-7-carboxylate
SMILESCOC(=O)c1cc(F)cc2cnn(Cc3ccc(-c4ccccc4)s3)c12
InChIInChI=1S/C20H15FN2O2S/c1-25-20(24)17-10-15(21)9-14-11-22-23(19(14)17)12-16-7-8-18(26-16)13-5-3-2-4-6-13/h2-11H,12H2,1H3
InChIKeyMXNNWZRNNDQHQP-UHFFFAOYSA-N
XLogP4.74
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 5-fluoro-1-[(5-phenylthiophen-2-yl)methyl]indazole-7-carboxylate?
The IUPAC name of methyl 5-fluoro-1-[(5-phenylthiophen-2-yl)methyl]indazole-7-carboxylate (CID 166161763) is methyl 5-fluoro-1-[(5-phenylthiophen-2-yl)methyl]indazole-7-carboxylate.
What is the SMILES notation for methyl 5-fluoro-1-[(5-phenylthiophen-2-yl)methyl]indazole-7-carboxylate?
The canonical SMILES for methyl 5-fluoro-1-[(5-phenylthiophen-2-yl)methyl]indazole-7-carboxylate is COC(=O)c1cc(F)cc2cnn(Cc3ccc(-c4ccccc4)s3)c12.
What is the InChIKey of methyl 5-fluoro-1-[(5-phenylthiophen-2-yl)methyl]indazole-7-carboxylate?
The InChIKey is MXNNWZRNNDQHQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN2O2S/c1-25-20(24)17-10-15(21)9-14-11-22-23(19(14)17)12-16-7-8-18(26-16)13-5-3-2-4-6-13/h2-11H,12H2,1H3.
What are the key properties of methyl 5-fluoro-1-[(5-phenylthiophen-2-yl)methyl]indazole-7-carboxylate?
methyl 5-fluoro-1-[(5-phenylthiophen-2-yl)methyl]indazole-7-carboxylate has a molecular weight of 366.42 g/mol, XLogP of 4.74, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-fluoro-1-[(5-phenylthiophen-2-yl)methyl]indazole-7-carboxylate is sourced from PubChem (CID 166161763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).