3-[(2R)-1-(dimethylamino)propan-2-yl]oxy-5-[[5-(3-fluorophenyl)-4-(methylamino)-2-pyridinyl]amino]pyrazine-2-carbonitrile

C22H24FN7O — CID 71452268

IUPAC3-[(2R)-1-(dimethylamino)propan-2-yl]oxy-5-[[5-(3-fluorophenyl)-4-(methylamino)-2-pyridinyl]amino]pyrazine-2-carbonitrile
SMILESCNc1cc(Nc2cnc(C#N)c(O[C@H](C)CN(C)C)n2)ncc1-c1cccc(F)c1
InChIInChI=1S/C22H24FN7O/c1-14(13-30(3)4)31-22-19(10-24)26-12-21(29-22)28-20-9-18(25-2)17(11-27-20)15-6-5-7-16(23)8-15/h5-9,11-12,14H,13H2,1-4H3,(H2,25,27,28,29)/t14-/m1/s1
InChIKeyRZYLYMRBTJYXAO-CQSZACIVSA-N
MW421.48 g/mol
LogP3.66
Rot. Bonds8

About 3-[(2R)-1-(dimethylamino)propan-2-yl]oxy-5-[[5-(3-fluorophenyl)-4-(methylamino)-2-pyridinyl]amino]pyrazine-2-carbonitrile

3-[(2R)-1-(dimethylamino)propan-2-yl]oxy-5-[[5-(3-fluorophenyl)-4-(methylamino)-2-pyridinyl]amino]pyrazine-2-carbonitrile (PubChem CID 71452268) has the molecular formula C22H24FN7O and a molecular weight of 421.48 g/mol. Its IUPAC name is 3-[(2R)-1-(dimethylamino)propan-2-yl]oxy-5-[[5-(3-fluorophenyl)-4-(methylamino)-2-pyridinyl]amino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-[(2R)-1-(dimethylamino)propan-2-yl]oxy-5-[[5-(3-fluorophenyl)-4-(methylamino)-2-pyridinyl]amino]pyrazine-2-carbonitrile
PubChem CID71452268
Molecular FormulaC22H24FN7O
Molecular Weight421.48 g/mol
Exact Mass421.20
IUPAC Name3-[(2R)-1-(dimethylamino)propan-2-yl]oxy-5-[[5-(3-fluorophenyl)-4-(methylamino)-2-pyridinyl]amino]pyrazine-2-carbonitrile
SMILESCNc1cc(Nc2cnc(C#N)c(O[C@H](C)CN(C)C)n2)ncc1-c1cccc(F)c1
InChIInChI=1S/C22H24FN7O/c1-14(13-30(3)4)31-22-19(10-24)26-12-21(29-22)28-20-9-18(25-2)17(11-27-20)15-6-5-7-16(23)8-15/h5-9,11-12,14H,13H2,1-4H3,(H2,25,27,28,29)/t14-/m1/s1
InChIKeyRZYLYMRBTJYXAO-CQSZACIVSA-N
XLogP3.66
TPSA98.99 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.48
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 3-[(2R)-1-(dimethylamino)propan-2-yl]oxy-5-[[5-(3-fluorophenyl)-4-(methylamino)-2-pyridinyl]amino]pyrazine-2-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 3-[(2R)-1-(dimethylamino)propan-2-yl]oxy-5-[[5-(3-fluorophenyl)-4-(methylamino)-2-pyridinyl]amino]pyrazine-2-carbonitrile?
The IUPAC name of 3-[(2R)-1-(dimethylamino)propan-2-yl]oxy-5-[[5-(3-fluorophenyl)-4-(methylamino)-2-pyridinyl]amino]pyrazine-2-carbonitrile (CID 71452268) is 3-[(2R)-1-(dimethylamino)propan-2-yl]oxy-5-[[5-(3-fluorophenyl)-4-(methylamino)-2-pyridinyl]amino]pyrazine-2-carbonitrile.
What is the SMILES notation for 3-[(2R)-1-(dimethylamino)propan-2-yl]oxy-5-[[5-(3-fluorophenyl)-4-(methylamino)-2-pyridinyl]amino]pyrazine-2-carbonitrile?
The canonical SMILES for 3-[(2R)-1-(dimethylamino)propan-2-yl]oxy-5-[[5-(3-fluorophenyl)-4-(methylamino)-2-pyridinyl]amino]pyrazine-2-carbonitrile is CNc1cc(Nc2cnc(C#N)c(O[C@H](C)CN(C)C)n2)ncc1-c1cccc(F)c1.
What is the InChIKey of 3-[(2R)-1-(dimethylamino)propan-2-yl]oxy-5-[[5-(3-fluorophenyl)-4-(methylamino)-2-pyridinyl]amino]pyrazine-2-carbonitrile?
The InChIKey is RZYLYMRBTJYXAO-CQSZACIVSA-N. The full InChI is InChI=1S/C22H24FN7O/c1-14(13-30(3)4)31-22-19(10-24)26-12-21(29-22)28-20-9-18(25-2)17(11-27-20)15-6-5-7-16(23)8-15/h5-9,11-12,14H,13H2,1-4H3,(H2,25,27,28,29)/t14-/m1/s1.
What are the key properties of 3-[(2R)-1-(dimethylamino)propan-2-yl]oxy-5-[[5-(3-fluorophenyl)-4-(methylamino)-2-pyridinyl]amino]pyrazine-2-carbonitrile?
3-[(2R)-1-(dimethylamino)propan-2-yl]oxy-5-[[5-(3-fluorophenyl)-4-(methylamino)-2-pyridinyl]amino]pyrazine-2-carbonitrile has a molecular weight of 421.48 g/mol, XLogP of 3.66, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-1-(dimethylamino)propan-2-yl]oxy-5-[[5-(3-fluorophenyl)-4-(methylamino)-2-pyridinyl]amino]pyrazine-2-carbonitrile is sourced from PubChem (CID 71452268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).