6-[(4-fluorophenyl)methoxy]-N,N-dimethyl-3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indole-1-carboxamide

C27H25FN4O3S — CID 10255558

IUPAC6-[(4-fluorophenyl)methoxy]-N,N-dimethyl-3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indole-1-carboxamide
SMILESCN(C)C(=O)n1cc(C(=O)[C@@H]2CSC(c3cccnc3)N2)c2ccc(OCc3ccc(F)cc3)cc21
InChIInChI=1S/C27H25FN4O3S/c1-31(2)27(34)32-14-22(25(33)23-16-36-26(30-23)18-4-3-11-29-13-18)21-10-9-20(12-24(21)32)35-15-17-5-7-19(28)8-6-17/h3-14,23,26,30H,15-16H2,1-2H3/t23-,26?/m0/s1
InChIKeyJJYJIAAMRPWUNA-ZZHFZYNASA-N
MW504.59 g/mol
LogP4.87
Rot. Bonds6

About 6-[(4-fluorophenyl)methoxy]-N,N-dimethyl-3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indole-1-carboxamide

6-[(4-fluorophenyl)methoxy]-N,N-dimethyl-3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indole-1-carboxamide (PubChem CID 10255558) has the molecular formula C27H25FN4O3S and a molecular weight of 504.59 g/mol. Its IUPAC name is 6-[(4-fluorophenyl)methoxy]-N,N-dimethyl-3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indole-1-carboxamide.

Molecular Properties

Compound Name6-[(4-fluorophenyl)methoxy]-N,N-dimethyl-3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indole-1-carboxamide
PubChem CID10255558
Molecular FormulaC27H25FN4O3S
Molecular Weight504.59 g/mol
Exact Mass504.16
IUPAC Name6-[(4-fluorophenyl)methoxy]-N,N-dimethyl-3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indole-1-carboxamide
SMILESCN(C)C(=O)n1cc(C(=O)[C@@H]2CSC(c3cccnc3)N2)c2ccc(OCc3ccc(F)cc3)cc21
InChIInChI=1S/C27H25FN4O3S/c1-31(2)27(34)32-14-22(25(33)23-16-36-26(30-23)18-4-3-11-29-13-18)21-10-9-20(12-24(21)32)35-15-17-5-7-19(28)8-6-17/h3-14,23,26,30H,15-16H2,1-2H3/t23-,26?/m0/s1
InChIKeyJJYJIAAMRPWUNA-ZZHFZYNASA-N
XLogP4.87
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.59
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-fluorophenyl)methoxy]-N,N-dimethyl-3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indole-1-carboxamide?
The IUPAC name of 6-[(4-fluorophenyl)methoxy]-N,N-dimethyl-3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indole-1-carboxamide (CID 10255558) is 6-[(4-fluorophenyl)methoxy]-N,N-dimethyl-3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indole-1-carboxamide.
What is the SMILES notation for 6-[(4-fluorophenyl)methoxy]-N,N-dimethyl-3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indole-1-carboxamide?
The canonical SMILES for 6-[(4-fluorophenyl)methoxy]-N,N-dimethyl-3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indole-1-carboxamide is CN(C)C(=O)n1cc(C(=O)[C@@H]2CSC(c3cccnc3)N2)c2ccc(OCc3ccc(F)cc3)cc21.
What is the InChIKey of 6-[(4-fluorophenyl)methoxy]-N,N-dimethyl-3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indole-1-carboxamide?
The InChIKey is JJYJIAAMRPWUNA-ZZHFZYNASA-N. The full InChI is InChI=1S/C27H25FN4O3S/c1-31(2)27(34)32-14-22(25(33)23-16-36-26(30-23)18-4-3-11-29-13-18)21-10-9-20(12-24(21)32)35-15-17-5-7-19(28)8-6-17/h3-14,23,26,30H,15-16H2,1-2H3/t23-,26?/m0/s1.
What are the key properties of 6-[(4-fluorophenyl)methoxy]-N,N-dimethyl-3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indole-1-carboxamide?
6-[(4-fluorophenyl)methoxy]-N,N-dimethyl-3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indole-1-carboxamide has a molecular weight of 504.59 g/mol, XLogP of 4.87, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-fluorophenyl)methoxy]-N,N-dimethyl-3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indole-1-carboxamide is sourced from PubChem (CID 10255558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).