N-[(3R)-3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropyl]thiophene-2-carboxamide

C29H26FN3OS — CID 59251168

IUPACN-[(3R)-3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropyl]thiophene-2-carboxamide
SMILESCC(C)(CNC(=O)c1cccs1)[C@H](c1ccccc1)c1ccc2c(cnn2-c2ccc(F)cc2)c1
InChIInChI=1S/C29H26FN3OS/c1-29(2,19-31-28(34)26-9-6-16-35-26)27(20-7-4-3-5-8-20)21-10-15-25-22(17-21)18-32-33(25)24-13-11-23(30)12-14-24/h3-18,27H,19H2,1-2H3,(H,31,34)/t27-/m1/s1
InChIKeyLTBAUBKYTKECBN-HHHXNRCGSA-N
MW483.61 g/mol
LogP6.81
Rot. Bonds7

About N-[(3R)-3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropyl]thiophene-2-carboxamide

N-[(3R)-3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropyl]thiophene-2-carboxamide (PubChem CID 59251168) has the molecular formula C29H26FN3OS and a molecular weight of 483.61 g/mol. Its IUPAC name is N-[(3R)-3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(3R)-3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropyl]thiophene-2-carboxamide
PubChem CID59251168
Molecular FormulaC29H26FN3OS
Molecular Weight483.61 g/mol
Exact Mass483.18
IUPAC NameN-[(3R)-3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropyl]thiophene-2-carboxamide
SMILESCC(C)(CNC(=O)c1cccs1)[C@H](c1ccccc1)c1ccc2c(cnn2-c2ccc(F)cc2)c1
InChIInChI=1S/C29H26FN3OS/c1-29(2,19-31-28(34)26-9-6-16-35-26)27(20-7-4-3-5-8-20)21-10-15-25-22(17-21)18-32-33(25)24-13-11-23(30)12-14-24/h3-18,27H,19H2,1-2H3,(H,31,34)/t27-/m1/s1
InChIKeyLTBAUBKYTKECBN-HHHXNRCGSA-N
XLogP6.81
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.61
LogP ≤ 56.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3R)-3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropyl]thiophene-2-carboxamide?
The IUPAC name of N-[(3R)-3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropyl]thiophene-2-carboxamide (CID 59251168) is N-[(3R)-3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[(3R)-3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropyl]thiophene-2-carboxamide?
The canonical SMILES for N-[(3R)-3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropyl]thiophene-2-carboxamide is CC(C)(CNC(=O)c1cccs1)[C@H](c1ccccc1)c1ccc2c(cnn2-c2ccc(F)cc2)c1.
What is the InChIKey of N-[(3R)-3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropyl]thiophene-2-carboxamide?
The InChIKey is LTBAUBKYTKECBN-HHHXNRCGSA-N. The full InChI is InChI=1S/C29H26FN3OS/c1-29(2,19-31-28(34)26-9-6-16-35-26)27(20-7-4-3-5-8-20)21-10-15-25-22(17-21)18-32-33(25)24-13-11-23(30)12-14-24/h3-18,27H,19H2,1-2H3,(H,31,34)/t27-/m1/s1.
What are the key properties of N-[(3R)-3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropyl]thiophene-2-carboxamide?
N-[(3R)-3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropyl]thiophene-2-carboxamide has a molecular weight of 483.61 g/mol, XLogP of 6.81, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropyl]thiophene-2-carboxamide is sourced from PubChem (CID 59251168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).