2-[4-[6-[5-[2-(2-aminoethylamino)-4-fluorophenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[6-[5-[4-[2-aminoethyl(methyl)amino]phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[3-[4-[(3S)-morpholin-3-yl]phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;molecular hydrogen

C75H88FN23O4 — CID 157169469

IUPAC2-[4-[6-[5-[2-(2-aminoethylamino)-4-fluorophenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[6-[5-[4-[2-aminoethyl(methyl)amino]phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[3-[4-[(3S)-morpholin-3-yl]phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;molecular hydrogen
SMILESCC(C)(C#N)c1cc(-c2cnc(N)c(-c3cc(-c4ccc([C@H]5COCCN5)cc4)no3)n2)ccn1.Cc1ncc(-c2ccnc(C(C)(C)C#N)c2)nc1-c1nnc(-c2ccc(F)cc2NCCN)o1.Cc1ncc(-c2ccnc(C(C)(C)C#N)c2)nc1-c1nnc(-c2ccc(N(C)CCN)cc2)o1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C26H25N7O2.C25H26N8O.C24H23FN8O.7H2/c1-26(2,15-27)23-11-18(7-8-30-23)20-13-31-25(28)24(32-20)22-12-19(33-35-22)16-3-5-17(6-4-16)21-14-34-10-9-29-21;1-16-22(30-20(14-29-16)18-9-11-28-21(13-18)25(2,3)15-27)24-32-31-23(34-24)17-5-7-19(8-6-17)33(4)12-10-26;1-14-21(31-19(12-30-14)15-6-8-29-20(10-15)24(2,3)13-27)23-33-32-22(34-23)17-5-4-16(25)11-18(17)28-9-7-26;;;;;;;/h3-8,11-13,21,29H,9-10,14H2,1-2H3,(H2,28,31);5-9,11,13-14H,10,12,26H2,1-4H3;4-6,8,10-12,28H,7,9,26H2,1-3H3;7*1H/t21-;;;;;;;;;/m1........./s1
InChIKeyANHFYRROZQEYNB-HRACBDAPSA-N
MW1394.68 g/mol
LogP13.26
Rot. Bonds19

About 2-[4-[6-[5-[2-(2-aminoethylamino)-4-fluorophenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[6-[5-[4-[2-aminoethyl(methyl)amino]phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[3-[4-[(3S)-morpholin-3-yl]phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;molecular hydrogen

2-[4-[6-[5-[2-(2-aminoethylamino)-4-fluorophenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[6-[5-[4-[2-aminoethyl(methyl)amino]phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[3-[4-[(3S)-morpholin-3-yl]phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;molecular hydrogen (PubChem CID 157169469) has the molecular formula C75H88FN23O4 and a molecular weight of 1394.68 g/mol. Its IUPAC name is 2-[4-[6-[5-[2-(2-aminoethylamino)-4-fluorophenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[6-[5-[4-[2-aminoethyl(methyl)amino]phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[3-[4-[(3S)-morpholin-3-yl]phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;molecular hydrogen.

Molecular Properties

Compound Name2-[4-[6-[5-[2-(2-aminoethylamino)-4-fluorophenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[6-[5-[4-[2-aminoethyl(methyl)amino]phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[3-[4-[(3S)-morpholin-3-yl]phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;molecular hydrogen
PubChem CID157169469
Molecular FormulaC75H88FN23O4
Molecular Weight1394.68 g/mol
Exact Mass1393.74
IUPAC Name2-[4-[6-[5-[2-(2-aminoethylamino)-4-fluorophenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[6-[5-[4-[2-aminoethyl(methyl)amino]phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[3-[4-[(3S)-morpholin-3-yl]phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;molecular hydrogen
SMILESCC(C)(C#N)c1cc(-c2cnc(N)c(-c3cc(-c4ccc([C@H]5COCCN5)cc4)no3)n2)ccn1.Cc1ncc(-c2ccnc(C(C)(C)C#N)c2)nc1-c1nnc(-c2ccc(F)cc2NCCN)o1.Cc1ncc(-c2ccnc(C(C)(C)C#N)c2)nc1-c1nnc(-c2ccc(N(C)CCN)cc2)o1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C26H25N7O2.C25H26N8O.C24H23FN8O.7H2/c1-26(2,15-27)23-11-18(7-8-30-23)20-13-31-25(28)24(32-20)22-12-19(33-35-22)16-3-5-17(6-4-16)21-14-34-10-9-29-21;1-16-22(30-20(14-29-16)18-9-11-28-21(13-18)25(2,3)15-27)24-32-31-23(34-24)17-5-7-19(8-6-17)33(4)12-10-26;1-14-21(31-19(12-30-14)15-6-8-29-20(10-15)24(2,3)13-27)23-33-32-22(34-23)17-5-4-16(25)11-18(17)28-9-7-26;;;;;;;/h3-8,11-13,21,29H,9-10,14H2,1-2H3,(H2,28,31);5-9,11,13-14H,10,12,26H2,1-4H3;4-6,8,10-12,28H,7,9,26H2,1-3H3;7*1H/t21-;;;;;;;;;/m1........./s1
InChIKeyANHFYRROZQEYNB-HRACBDAPSA-N
XLogP13.26
TPSA405.84 Ų
H-Bond Donors5
H-Bond Acceptors27
Rotatable Bonds19
Heavy Atoms103
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001394.68
LogP ≤ 513.26
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1027

Analyze 2-[4-[6-[5-[2-(2-aminoethylamino)-4-fluorophenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[6-[5-[4-[2-aminoethyl(methyl)amino]phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[3-[4-[(3S)-morpholin-3-yl]phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;molecular hydrogen 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-[4-[6-[5-[2-(2-aminoethylamino)-4-fluorophenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[6-[5-[4-[2-aminoethyl(methyl)amino]phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[3-[4-[(3S)-morpholin-3-yl]phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;molecular hydrogen?
The IUPAC name of 2-[4-[6-[5-[2-(2-aminoethylamino)-4-fluorophenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[6-[5-[4-[2-aminoethyl(methyl)amino]phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[3-[4-[(3S)-morpholin-3-yl]phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;molecular hydrogen (CID 157169469) is 2-[4-[6-[5-[2-(2-aminoethylamino)-4-fluorophenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[6-[5-[4-[2-aminoethyl(methyl)amino]phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[3-[4-[(3S)-morpholin-3-yl]phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;molecular hydrogen.
What is the SMILES notation for 2-[4-[6-[5-[2-(2-aminoethylamino)-4-fluorophenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[6-[5-[4-[2-aminoethyl(methyl)amino]phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[3-[4-[(3S)-morpholin-3-yl]phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;molecular hydrogen?
The canonical SMILES for 2-[4-[6-[5-[2-(2-aminoethylamino)-4-fluorophenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[6-[5-[4-[2-aminoethyl(methyl)amino]phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[3-[4-[(3S)-morpholin-3-yl]phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;molecular hydrogen is CC(C)(C#N)c1cc(-c2cnc(N)c(-c3cc(-c4ccc([C@H]5COCCN5)cc4)no3)n2)ccn1.Cc1ncc(-c2ccnc(C(C)(C)C#N)c2)nc1-c1nnc(-c2ccc(F)cc2NCCN)o1.Cc1ncc(-c2ccnc(C(C)(C)C#N)c2)nc1-c1nnc(-c2ccc(N(C)CCN)cc2)o1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].
What is the InChIKey of 2-[4-[6-[5-[2-(2-aminoethylamino)-4-fluorophenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[6-[5-[4-[2-aminoethyl(methyl)amino]phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[3-[4-[(3S)-morpholin-3-yl]phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;molecular hydrogen?
The InChIKey is ANHFYRROZQEYNB-HRACBDAPSA-N. The full InChI is InChI=1S/C26H25N7O2.C25H26N8O.C24H23FN8O.7H2/c1-26(2,15-27)23-11-18(7-8-30-23)20-13-31-25(28)24(32-20)22-12-19(33-35-22)16-3-5-17(6-4-16)21-14-34-10-9-29-21;1-16-22(30-20(14-29-16)18-9-11-28-21(13-18)25(2,3)15-27)24-32-31-23(34-24)17-5-7-19(8-6-17)33(4)12-10-26;1-14-21(31-19(12-30-14)15-6-8-29-20(10-15)24(2,3)13-27)23-33-32-22(34-23)17-5-4-16(25)11-18(17)28-9-7-26;;;;;;;/h3-8,11-13,21,29H,9-10,14H2,1-2H3,(H2,28,31);5-9,11,13-14H,10,12,26H2,1-4H3;4-6,8,10-12,28H,7,9,26H2,1-3H3;7*1H/t21-;;;;;;;;;/m1........./s1.
What are the key properties of 2-[4-[6-[5-[2-(2-aminoethylamino)-4-fluorophenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[6-[5-[4-[2-aminoethyl(methyl)amino]phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[3-[4-[(3S)-morpholin-3-yl]phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;molecular hydrogen?
2-[4-[6-[5-[2-(2-aminoethylamino)-4-fluorophenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[6-[5-[4-[2-aminoethyl(methyl)amino]phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[3-[4-[(3S)-morpholin-3-yl]phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;molecular hydrogen has a molecular weight of 1394.68 g/mol, XLogP of 13.26, 19 rotatable bonds, 5 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[6-[5-[2-(2-aminoethylamino)-4-fluorophenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[6-[5-[4-[2-aminoethyl(methyl)amino]phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;2-[4-[5-amino-6-[3-[4-[(3S)-morpholin-3-yl]phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile;molecular hydrogen is sourced from PubChem (CID 157169469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).