2-(5,7-difluoro-1H-indol-3-yl)-5-fluoro-6-[[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]amino]pyridine-3-carbonitrile

C20H19F3N4O — CID 118871790

IUPAC2-(5,7-difluoro-1H-indol-3-yl)-5-fluoro-6-[[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]amino]pyridine-3-carbonitrile
SMILESCC(C)(C)[C@@H](CO)Nc1nc(-c2c[nH]c3c(F)cc(F)cc23)c(C#N)cc1F
InChIInChI=1S/C20H19F3N4O/c1-20(2,3)16(9-28)26-19-15(23)4-10(7-24)17(27-19)13-8-25-18-12(13)5-11(21)6-14(18)22/h4-6,8,16,25,28H,9H2,1-3H3,(H,26,27)/t16-/m1/s1
InChIKeyMRPBKVSWSSLIQJ-MRXNPFEDSA-N
MW388.39 g/mol
LogP4.34
Rot. Bonds4

About 2-(5,7-difluoro-1H-indol-3-yl)-5-fluoro-6-[[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]amino]pyridine-3-carbonitrile

2-(5,7-difluoro-1H-indol-3-yl)-5-fluoro-6-[[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]amino]pyridine-3-carbonitrile (PubChem CID 118871790) has the molecular formula C20H19F3N4O and a molecular weight of 388.39 g/mol. Its IUPAC name is 2-(5,7-difluoro-1H-indol-3-yl)-5-fluoro-6-[[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(5,7-difluoro-1H-indol-3-yl)-5-fluoro-6-[[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]amino]pyridine-3-carbonitrile
PubChem CID118871790
Molecular FormulaC20H19F3N4O
Molecular Weight388.39 g/mol
Exact Mass388.15
IUPAC Name2-(5,7-difluoro-1H-indol-3-yl)-5-fluoro-6-[[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]amino]pyridine-3-carbonitrile
SMILESCC(C)(C)[C@@H](CO)Nc1nc(-c2c[nH]c3c(F)cc(F)cc23)c(C#N)cc1F
InChIInChI=1S/C20H19F3N4O/c1-20(2,3)16(9-28)26-19-15(23)4-10(7-24)17(27-19)13-8-25-18-12(13)5-11(21)6-14(18)22/h4-6,8,16,25,28H,9H2,1-3H3,(H,26,27)/t16-/m1/s1
InChIKeyMRPBKVSWSSLIQJ-MRXNPFEDSA-N
XLogP4.34
TPSA84.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.39
LogP ≤ 54.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-(5,7-difluoro-1H-indol-3-yl)-5-fluoro-6-[[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]amino]pyridine-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 2-(5,7-difluoro-1H-indol-3-yl)-5-fluoro-6-[[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]amino]pyridine-3-carbonitrile?
The IUPAC name of 2-(5,7-difluoro-1H-indol-3-yl)-5-fluoro-6-[[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]amino]pyridine-3-carbonitrile (CID 118871790) is 2-(5,7-difluoro-1H-indol-3-yl)-5-fluoro-6-[[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]amino]pyridine-3-carbonitrile.
What is the SMILES notation for 2-(5,7-difluoro-1H-indol-3-yl)-5-fluoro-6-[[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]amino]pyridine-3-carbonitrile?
The canonical SMILES for 2-(5,7-difluoro-1H-indol-3-yl)-5-fluoro-6-[[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]amino]pyridine-3-carbonitrile is CC(C)(C)[C@@H](CO)Nc1nc(-c2c[nH]c3c(F)cc(F)cc23)c(C#N)cc1F.
What is the InChIKey of 2-(5,7-difluoro-1H-indol-3-yl)-5-fluoro-6-[[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]amino]pyridine-3-carbonitrile?
The InChIKey is MRPBKVSWSSLIQJ-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H19F3N4O/c1-20(2,3)16(9-28)26-19-15(23)4-10(7-24)17(27-19)13-8-25-18-12(13)5-11(21)6-14(18)22/h4-6,8,16,25,28H,9H2,1-3H3,(H,26,27)/t16-/m1/s1.
What are the key properties of 2-(5,7-difluoro-1H-indol-3-yl)-5-fluoro-6-[[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]amino]pyridine-3-carbonitrile?
2-(5,7-difluoro-1H-indol-3-yl)-5-fluoro-6-[[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]amino]pyridine-3-carbonitrile has a molecular weight of 388.39 g/mol, XLogP of 4.34, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,7-difluoro-1H-indol-3-yl)-5-fluoro-6-[[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]amino]pyridine-3-carbonitrile is sourced from PubChem (CID 118871790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).