N-[1-[[4-(fluoromethyl)phenyl]methyl]indazol-3-yl]-3-methylthiophene-2-carboxamide

C21H18FN3OS — CID 118466768

IUPACN-[1-[[4-(fluoromethyl)phenyl]methyl]indazol-3-yl]-3-methylthiophene-2-carboxamide
SMILESCc1ccsc1C(=O)Nc1nn(Cc2ccc(CF)cc2)c2ccccc12
InChIInChI=1S/C21H18FN3OS/c1-14-10-11-27-19(14)21(26)23-20-17-4-2-3-5-18(17)25(24-20)13-16-8-6-15(12-22)7-9-16/h2-11H,12-13H2,1H3,(H,23,24,26)
InChIKeyUFHXPBMNBYVDHR-UHFFFAOYSA-N
MW379.46 g/mol
LogP5.18
Rot. Bonds5

About N-[1-[[4-(fluoromethyl)phenyl]methyl]indazol-3-yl]-3-methylthiophene-2-carboxamide

N-[1-[[4-(fluoromethyl)phenyl]methyl]indazol-3-yl]-3-methylthiophene-2-carboxamide (PubChem CID 118466768) has the molecular formula C21H18FN3OS and a molecular weight of 379.46 g/mol. Its IUPAC name is N-[1-[[4-(fluoromethyl)phenyl]methyl]indazol-3-yl]-3-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-[[4-(fluoromethyl)phenyl]methyl]indazol-3-yl]-3-methylthiophene-2-carboxamide
PubChem CID118466768
Molecular FormulaC21H18FN3OS
Molecular Weight379.46 g/mol
Exact Mass379.12
IUPAC NameN-[1-[[4-(fluoromethyl)phenyl]methyl]indazol-3-yl]-3-methylthiophene-2-carboxamide
SMILESCc1ccsc1C(=O)Nc1nn(Cc2ccc(CF)cc2)c2ccccc12
InChIInChI=1S/C21H18FN3OS/c1-14-10-11-27-19(14)21(26)23-20-17-4-2-3-5-18(17)25(24-20)13-16-8-6-15(12-22)7-9-16/h2-11H,12-13H2,1H3,(H,23,24,26)
InChIKeyUFHXPBMNBYVDHR-UHFFFAOYSA-N
XLogP5.18
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.46
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[[4-(fluoromethyl)phenyl]methyl]indazol-3-yl]-3-methylthiophene-2-carboxamide?
The IUPAC name of N-[1-[[4-(fluoromethyl)phenyl]methyl]indazol-3-yl]-3-methylthiophene-2-carboxamide (CID 118466768) is N-[1-[[4-(fluoromethyl)phenyl]methyl]indazol-3-yl]-3-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[1-[[4-(fluoromethyl)phenyl]methyl]indazol-3-yl]-3-methylthiophene-2-carboxamide?
The canonical SMILES for N-[1-[[4-(fluoromethyl)phenyl]methyl]indazol-3-yl]-3-methylthiophene-2-carboxamide is Cc1ccsc1C(=O)Nc1nn(Cc2ccc(CF)cc2)c2ccccc12.
What is the InChIKey of N-[1-[[4-(fluoromethyl)phenyl]methyl]indazol-3-yl]-3-methylthiophene-2-carboxamide?
The InChIKey is UFHXPBMNBYVDHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN3OS/c1-14-10-11-27-19(14)21(26)23-20-17-4-2-3-5-18(17)25(24-20)13-16-8-6-15(12-22)7-9-16/h2-11H,12-13H2,1H3,(H,23,24,26).
What are the key properties of N-[1-[[4-(fluoromethyl)phenyl]methyl]indazol-3-yl]-3-methylthiophene-2-carboxamide?
N-[1-[[4-(fluoromethyl)phenyl]methyl]indazol-3-yl]-3-methylthiophene-2-carboxamide has a molecular weight of 379.46 g/mol, XLogP of 5.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[4-(fluoromethyl)phenyl]methyl]indazol-3-yl]-3-methylthiophene-2-carboxamide is sourced from PubChem (CID 118466768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).