1-[(3,3-difluorocyclopentyl)methyl]-N-[4-[(2R)-1-phenylpyrrolidin-2-yl]-1,3-thiazol-2-yl]pyrrole-2-carboxamide

C24H26F2N4OS — CID 162743894

IUPAC1-[(3,3-difluorocyclopentyl)methyl]-N-[4-[(2R)-1-phenylpyrrolidin-2-yl]-1,3-thiazol-2-yl]pyrrole-2-carboxamide
SMILESO=C(Nc1nc([C@H]2CCCN2c2ccccc2)cs1)c1cccn1CC1CCC(F)(F)C1
InChIInChI=1S/C24H26F2N4OS/c25-24(26)11-10-17(14-24)15-29-12-4-9-21(29)22(31)28-23-27-19(16-32-23)20-8-5-13-30(20)18-6-2-1-3-7-18/h1-4,6-7,9,12,16-17,20H,5,8,10-11,13-15H2,(H,27,28,31)/t17?,20-/m1/s1
InChIKeyRBYWOPCQWVETTJ-UUSAFJCLSA-N
MW456.56 g/mol
LogP5.97
Rot. Bonds6

About 1-[(3,3-difluorocyclopentyl)methyl]-N-[4-[(2R)-1-phenylpyrrolidin-2-yl]-1,3-thiazol-2-yl]pyrrole-2-carboxamide

1-[(3,3-difluorocyclopentyl)methyl]-N-[4-[(2R)-1-phenylpyrrolidin-2-yl]-1,3-thiazol-2-yl]pyrrole-2-carboxamide (PubChem CID 162743894) has the molecular formula C24H26F2N4OS and a molecular weight of 456.56 g/mol. Its IUPAC name is 1-[(3,3-difluorocyclopentyl)methyl]-N-[4-[(2R)-1-phenylpyrrolidin-2-yl]-1,3-thiazol-2-yl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name1-[(3,3-difluorocyclopentyl)methyl]-N-[4-[(2R)-1-phenylpyrrolidin-2-yl]-1,3-thiazol-2-yl]pyrrole-2-carboxamide
PubChem CID162743894
Molecular FormulaC24H26F2N4OS
Molecular Weight456.56 g/mol
Exact Mass456.18
IUPAC Name1-[(3,3-difluorocyclopentyl)methyl]-N-[4-[(2R)-1-phenylpyrrolidin-2-yl]-1,3-thiazol-2-yl]pyrrole-2-carboxamide
SMILESO=C(Nc1nc([C@H]2CCCN2c2ccccc2)cs1)c1cccn1CC1CCC(F)(F)C1
InChIInChI=1S/C24H26F2N4OS/c25-24(26)11-10-17(14-24)15-29-12-4-9-21(29)22(31)28-23-27-19(16-32-23)20-8-5-13-30(20)18-6-2-1-3-7-18/h1-4,6-7,9,12,16-17,20H,5,8,10-11,13-15H2,(H,27,28,31)/t17?,20-/m1/s1
InChIKeyRBYWOPCQWVETTJ-UUSAFJCLSA-N
XLogP5.97
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.56
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[(3,3-difluorocyclopentyl)methyl]-N-[4-[(2R)-1-phenylpyrrolidin-2-yl]-1,3-thiazol-2-yl]pyrrole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(3,3-difluorocyclopentyl)methyl]-N-[4-[(2R)-1-phenylpyrrolidin-2-yl]-1,3-thiazol-2-yl]pyrrole-2-carboxamide?
The IUPAC name of 1-[(3,3-difluorocyclopentyl)methyl]-N-[4-[(2R)-1-phenylpyrrolidin-2-yl]-1,3-thiazol-2-yl]pyrrole-2-carboxamide (CID 162743894) is 1-[(3,3-difluorocyclopentyl)methyl]-N-[4-[(2R)-1-phenylpyrrolidin-2-yl]-1,3-thiazol-2-yl]pyrrole-2-carboxamide.
What is the SMILES notation for 1-[(3,3-difluorocyclopentyl)methyl]-N-[4-[(2R)-1-phenylpyrrolidin-2-yl]-1,3-thiazol-2-yl]pyrrole-2-carboxamide?
The canonical SMILES for 1-[(3,3-difluorocyclopentyl)methyl]-N-[4-[(2R)-1-phenylpyrrolidin-2-yl]-1,3-thiazol-2-yl]pyrrole-2-carboxamide is O=C(Nc1nc([C@H]2CCCN2c2ccccc2)cs1)c1cccn1CC1CCC(F)(F)C1.
What is the InChIKey of 1-[(3,3-difluorocyclopentyl)methyl]-N-[4-[(2R)-1-phenylpyrrolidin-2-yl]-1,3-thiazol-2-yl]pyrrole-2-carboxamide?
The InChIKey is RBYWOPCQWVETTJ-UUSAFJCLSA-N. The full InChI is InChI=1S/C24H26F2N4OS/c25-24(26)11-10-17(14-24)15-29-12-4-9-21(29)22(31)28-23-27-19(16-32-23)20-8-5-13-30(20)18-6-2-1-3-7-18/h1-4,6-7,9,12,16-17,20H,5,8,10-11,13-15H2,(H,27,28,31)/t17?,20-/m1/s1.
What are the key properties of 1-[(3,3-difluorocyclopentyl)methyl]-N-[4-[(2R)-1-phenylpyrrolidin-2-yl]-1,3-thiazol-2-yl]pyrrole-2-carboxamide?
1-[(3,3-difluorocyclopentyl)methyl]-N-[4-[(2R)-1-phenylpyrrolidin-2-yl]-1,3-thiazol-2-yl]pyrrole-2-carboxamide has a molecular weight of 456.56 g/mol, XLogP of 5.97, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,3-difluorocyclopentyl)methyl]-N-[4-[(2R)-1-phenylpyrrolidin-2-yl]-1,3-thiazol-2-yl]pyrrole-2-carboxamide is sourced from PubChem (CID 162743894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).