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

C20H16FN3OS — CID 118466738

IUPACN-[1-[[4-(fluoromethyl)phenyl]methyl]indazol-3-yl]thiophene-2-carboxamide
SMILESO=C(Nc1nn(Cc2ccc(CF)cc2)c2ccccc12)c1cccs1
InChIInChI=1S/C20H16FN3OS/c21-12-14-7-9-15(10-8-14)13-24-17-5-2-1-4-16(17)19(23-24)22-20(25)18-6-3-11-26-18/h1-11H,12-13H2,(H,22,23,25)
InChIKeyWEDSZVBVEUDNFR-UHFFFAOYSA-N
MW365.43 g/mol
LogP4.87
Rot. Bonds5

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

N-[1-[[4-(fluoromethyl)phenyl]methyl]indazol-3-yl]thiophene-2-carboxamide (PubChem CID 118466738) has the molecular formula C20H16FN3OS and a molecular weight of 365.43 g/mol. Its IUPAC name is N-[1-[[4-(fluoromethyl)phenyl]methyl]indazol-3-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-[[4-(fluoromethyl)phenyl]methyl]indazol-3-yl]thiophene-2-carboxamide
PubChem CID118466738
Molecular FormulaC20H16FN3OS
Molecular Weight365.43 g/mol
Exact Mass365.10
IUPAC NameN-[1-[[4-(fluoromethyl)phenyl]methyl]indazol-3-yl]thiophene-2-carboxamide
SMILESO=C(Nc1nn(Cc2ccc(CF)cc2)c2ccccc12)c1cccs1
InChIInChI=1S/C20H16FN3OS/c21-12-14-7-9-15(10-8-14)13-24-17-5-2-1-4-16(17)19(23-24)22-20(25)18-6-3-11-26-18/h1-11H,12-13H2,(H,22,23,25)
InChIKeyWEDSZVBVEUDNFR-UHFFFAOYSA-N
XLogP4.87
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 54.87
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]thiophene-2-carboxamide?
The IUPAC name of N-[1-[[4-(fluoromethyl)phenyl]methyl]indazol-3-yl]thiophene-2-carboxamide (CID 118466738) is N-[1-[[4-(fluoromethyl)phenyl]methyl]indazol-3-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[1-[[4-(fluoromethyl)phenyl]methyl]indazol-3-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[1-[[4-(fluoromethyl)phenyl]methyl]indazol-3-yl]thiophene-2-carboxamide is O=C(Nc1nn(Cc2ccc(CF)cc2)c2ccccc12)c1cccs1.
What is the InChIKey of N-[1-[[4-(fluoromethyl)phenyl]methyl]indazol-3-yl]thiophene-2-carboxamide?
The InChIKey is WEDSZVBVEUDNFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN3OS/c21-12-14-7-9-15(10-8-14)13-24-17-5-2-1-4-16(17)19(23-24)22-20(25)18-6-3-11-26-18/h1-11H,12-13H2,(H,22,23,25).
What are the key properties of N-[1-[[4-(fluoromethyl)phenyl]methyl]indazol-3-yl]thiophene-2-carboxamide?
N-[1-[[4-(fluoromethyl)phenyl]methyl]indazol-3-yl]thiophene-2-carboxamide has a molecular weight of 365.43 g/mol, XLogP of 4.87, 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]thiophene-2-carboxamide is sourced from PubChem (CID 118466738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).