1-cyclopropyl-6-[(3-fluoro-2-pyridinyl)oxy]-2-[4-[(4-methyl-1,3-thiazol-2-yl)amino]phenyl]indole-3-carbonitrile

C27H20FN5OS — CID 59425225

IUPAC1-cyclopropyl-6-[(3-fluoro-2-pyridinyl)oxy]-2-[4-[(4-methyl-1,3-thiazol-2-yl)amino]phenyl]indole-3-carbonitrile
SMILESCc1csc(Nc2ccc(-c3c(C#N)c4ccc(Oc5ncccc5F)cc4n3C3CC3)cc2)n1
InChIInChI=1S/C27H20FN5OS/c1-16-15-35-27(31-16)32-18-6-4-17(5-7-18)25-22(14-29)21-11-10-20(13-24(21)33(25)19-8-9-19)34-26-23(28)3-2-12-30-26/h2-7,10-13,15,19H,8-9H2,1H3,(H,31,32)
InChIKeyNLLFKJNAYIQTOZ-UHFFFAOYSA-N
MW481.56 g/mol
LogP7.35
Rot. Bonds6

About 1-cyclopropyl-6-[(3-fluoro-2-pyridinyl)oxy]-2-[4-[(4-methyl-1,3-thiazol-2-yl)amino]phenyl]indole-3-carbonitrile

1-cyclopropyl-6-[(3-fluoro-2-pyridinyl)oxy]-2-[4-[(4-methyl-1,3-thiazol-2-yl)amino]phenyl]indole-3-carbonitrile (PubChem CID 59425225) has the molecular formula C27H20FN5OS and a molecular weight of 481.56 g/mol. Its IUPAC name is 1-cyclopropyl-6-[(3-fluoro-2-pyridinyl)oxy]-2-[4-[(4-methyl-1,3-thiazol-2-yl)amino]phenyl]indole-3-carbonitrile.

Molecular Properties

Compound Name1-cyclopropyl-6-[(3-fluoro-2-pyridinyl)oxy]-2-[4-[(4-methyl-1,3-thiazol-2-yl)amino]phenyl]indole-3-carbonitrile
PubChem CID59425225
Molecular FormulaC27H20FN5OS
Molecular Weight481.56 g/mol
Exact Mass481.14
IUPAC Name1-cyclopropyl-6-[(3-fluoro-2-pyridinyl)oxy]-2-[4-[(4-methyl-1,3-thiazol-2-yl)amino]phenyl]indole-3-carbonitrile
SMILESCc1csc(Nc2ccc(-c3c(C#N)c4ccc(Oc5ncccc5F)cc4n3C3CC3)cc2)n1
InChIInChI=1S/C27H20FN5OS/c1-16-15-35-27(31-16)32-18-6-4-17(5-7-18)25-22(14-29)21-11-10-20(13-24(21)33(25)19-8-9-19)34-26-23(28)3-2-12-30-26/h2-7,10-13,15,19H,8-9H2,1H3,(H,31,32)
InChIKeyNLLFKJNAYIQTOZ-UHFFFAOYSA-N
XLogP7.35
TPSA75.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.56
LogP ≤ 57.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-cyclopropyl-6-[(3-fluoro-2-pyridinyl)oxy]-2-[4-[(4-methyl-1,3-thiazol-2-yl)amino]phenyl]indole-3-carbonitrile 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-cyclopropyl-6-[(3-fluoro-2-pyridinyl)oxy]-2-[4-[(4-methyl-1,3-thiazol-2-yl)amino]phenyl]indole-3-carbonitrile?
The IUPAC name of 1-cyclopropyl-6-[(3-fluoro-2-pyridinyl)oxy]-2-[4-[(4-methyl-1,3-thiazol-2-yl)amino]phenyl]indole-3-carbonitrile (CID 59425225) is 1-cyclopropyl-6-[(3-fluoro-2-pyridinyl)oxy]-2-[4-[(4-methyl-1,3-thiazol-2-yl)amino]phenyl]indole-3-carbonitrile.
What is the SMILES notation for 1-cyclopropyl-6-[(3-fluoro-2-pyridinyl)oxy]-2-[4-[(4-methyl-1,3-thiazol-2-yl)amino]phenyl]indole-3-carbonitrile?
The canonical SMILES for 1-cyclopropyl-6-[(3-fluoro-2-pyridinyl)oxy]-2-[4-[(4-methyl-1,3-thiazol-2-yl)amino]phenyl]indole-3-carbonitrile is Cc1csc(Nc2ccc(-c3c(C#N)c4ccc(Oc5ncccc5F)cc4n3C3CC3)cc2)n1.
What is the InChIKey of 1-cyclopropyl-6-[(3-fluoro-2-pyridinyl)oxy]-2-[4-[(4-methyl-1,3-thiazol-2-yl)amino]phenyl]indole-3-carbonitrile?
The InChIKey is NLLFKJNAYIQTOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20FN5OS/c1-16-15-35-27(31-16)32-18-6-4-17(5-7-18)25-22(14-29)21-11-10-20(13-24(21)33(25)19-8-9-19)34-26-23(28)3-2-12-30-26/h2-7,10-13,15,19H,8-9H2,1H3,(H,31,32).
What are the key properties of 1-cyclopropyl-6-[(3-fluoro-2-pyridinyl)oxy]-2-[4-[(4-methyl-1,3-thiazol-2-yl)amino]phenyl]indole-3-carbonitrile?
1-cyclopropyl-6-[(3-fluoro-2-pyridinyl)oxy]-2-[4-[(4-methyl-1,3-thiazol-2-yl)amino]phenyl]indole-3-carbonitrile has a molecular weight of 481.56 g/mol, XLogP of 7.35, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-6-[(3-fluoro-2-pyridinyl)oxy]-2-[4-[(4-methyl-1,3-thiazol-2-yl)amino]phenyl]indole-3-carbonitrile is sourced from PubChem (CID 59425225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).