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

C26H23FN4O3S — CID 10480729

IUPAC6-(4-fluorophenoxy)-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(Oc3ccc(F)cc3)cc21
InChIInChI=1S/C26H23FN4O3S/c1-30(2)26(33)31-14-21(24(32)22-15-35-25(29-22)16-4-3-11-28-13-16)20-10-9-19(12-23(20)31)34-18-7-5-17(27)6-8-18/h3-14,22,25,29H,15H2,1-2H3/t22-,25?/m0/s1
InChIKeyCXQSUCQDSBTFGO-XADRRFQNSA-N
MW490.56 g/mol
LogP5.08
Rot. Bonds5

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

6-(4-fluorophenoxy)-N,N-dimethyl-3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indole-1-carboxamide (PubChem CID 10480729) has the molecular formula C26H23FN4O3S and a molecular weight of 490.56 g/mol. Its IUPAC name is 6-(4-fluorophenoxy)-N,N-dimethyl-3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indole-1-carboxamide.

Molecular Properties

Compound Name6-(4-fluorophenoxy)-N,N-dimethyl-3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indole-1-carboxamide
PubChem CID10480729
Molecular FormulaC26H23FN4O3S
Molecular Weight490.56 g/mol
Exact Mass490.15
IUPAC Name6-(4-fluorophenoxy)-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(Oc3ccc(F)cc3)cc21
InChIInChI=1S/C26H23FN4O3S/c1-30(2)26(33)31-14-21(24(32)22-15-35-25(29-22)16-4-3-11-28-13-16)20-10-9-19(12-23(20)31)34-18-7-5-17(27)6-8-18/h3-14,22,25,29H,15H2,1-2H3/t22-,25?/m0/s1
InChIKeyCXQSUCQDSBTFGO-XADRRFQNSA-N
XLogP5.08
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.56
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenoxy)-N,N-dimethyl-3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indole-1-carboxamide?
The IUPAC name of 6-(4-fluorophenoxy)-N,N-dimethyl-3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indole-1-carboxamide (CID 10480729) is 6-(4-fluorophenoxy)-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-fluorophenoxy)-N,N-dimethyl-3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indole-1-carboxamide?
The canonical SMILES for 6-(4-fluorophenoxy)-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(Oc3ccc(F)cc3)cc21.
What is the InChIKey of 6-(4-fluorophenoxy)-N,N-dimethyl-3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indole-1-carboxamide?
The InChIKey is CXQSUCQDSBTFGO-XADRRFQNSA-N. The full InChI is InChI=1S/C26H23FN4O3S/c1-30(2)26(33)31-14-21(24(32)22-15-35-25(29-22)16-4-3-11-28-13-16)20-10-9-19(12-23(20)31)34-18-7-5-17(27)6-8-18/h3-14,22,25,29H,15H2,1-2H3/t22-,25?/m0/s1.
What are the key properties of 6-(4-fluorophenoxy)-N,N-dimethyl-3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indole-1-carboxamide?
6-(4-fluorophenoxy)-N,N-dimethyl-3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indole-1-carboxamide has a molecular weight of 490.56 g/mol, XLogP of 5.08, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenoxy)-N,N-dimethyl-3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indole-1-carboxamide is sourced from PubChem (CID 10480729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).