2-amino-N-[4-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]acetamide;N-[4-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]benzenesulfonamide;N-[4-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]-N',N'-diethylethane-1,2-diamine;N-[4-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]ethanesulfonamide

C88H96N18O5S2 — CID 159750542

IUPAC2-amino-N-[4-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]acetamide;N-[4-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]benzenesulfonamide;N-[4-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]-N',N'-diethylethane-1,2-diamine;N-[4-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]ethanesulfonamide
SMILESC=C(Cc1nc2cccc(-c3ccc(NC(=O)CN)cc3)n2n1)C1CC1.C=C(Cc1nc2cccc(-c3ccc(NCCN(CC)CC)cc3)n2n1)C1CC1.C=C(Cc1nc2cccc(-c3ccc(NS(=O)(=O)CC)cc3)n2n1)C1CC1.C=C(Cc1nc2cccc(-c3ccc(NS(=O)(=O)c4ccccc4)cc3)n2n1)C1CC1
InChIInChI=1S/C24H31N5.C24H22N4O2S.C20H21N5O.C20H22N4O2S/c1-4-28(5-2)16-15-25-21-13-11-20(12-14-21)22-7-6-8-24-26-23(27-29(22)24)17-18(3)19-9-10-19;1-17(18-10-11-18)16-23-25-24-9-5-8-22(28(24)26-23)19-12-14-20(15-13-19)27-31(29,30)21-6-3-2-4-7-21;1-13(14-5-6-14)11-18-23-19-4-2-3-17(25(19)24-18)15-7-9-16(10-8-15)22-20(26)12-21;1-3-27(25,26)23-17-11-9-16(10-12-17)18-5-4-6-20-21-19(22-24(18)20)13-14(2)15-7-8-15/h6-8,11-14,19,25H,3-5,9-10,15-17H2,1-2H3;2-9,12-15,18,27H,1,10-11,16H2;2-4,7-10,14H,1,5-6,11-12,21H2,(H,22,26);4-6,9-12,15,23H,2-3,7-8,13H2,1H3
InChIKeyNDPDHCPVBBSHDE-UHFFFAOYSA-N
MW1549.99 g/mol
LogP15.83
Rot. Bonds30

About 2-amino-N-[4-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]acetamide;N-[4-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]benzenesulfonamide;N-[4-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]-N',N'-diethylethane-1,2-diamine;N-[4-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]ethanesulfonamide

2-amino-N-[4-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]acetamide;N-[4-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]benzenesulfonamide;N-[4-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]-N',N'-diethylethane-1,2-diamine;N-[4-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]ethanesulfonamide (PubChem CID 159750542) has the molecular formula C88H96N18O5S2 and a molecular weight of 1549.99 g/mol. Its IUPAC name is 2-amino-N-[4-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]acetamide;N-[4-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]benzenesulfonamide;N-[4-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]-N',N'-diethylethane-1,2-diamine;N-[4-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]ethanesulfonamide.

Molecular Properties

Compound Name2-amino-N-[4-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]acetamide;N-[4-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]benzenesulfonamide;N-[4-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]-N',N'-diethylethane-1,2-diamine;N-[4-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]ethanesulfonamide
PubChem CID159750542
Molecular FormulaC88H96N18O5S2
Molecular Weight1549.99 g/mol
Exact Mass1548.73
IUPAC Name2-amino-N-[4-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]acetamide;N-[4-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]benzenesulfonamide;N-[4-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]-N',N'-diethylethane-1,2-diamine;N-[4-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]ethanesulfonamide
SMILESC=C(Cc1nc2cccc(-c3ccc(NC(=O)CN)cc3)n2n1)C1CC1.C=C(Cc1nc2cccc(-c3ccc(NCCN(CC)CC)cc3)n2n1)C1CC1.C=C(Cc1nc2cccc(-c3ccc(NS(=O)(=O)CC)cc3)n2n1)C1CC1.C=C(Cc1nc2cccc(-c3ccc(NS(=O)(=O)c4ccccc4)cc3)n2n1)C1CC1
InChIInChI=1S/C24H31N5.C24H22N4O2S.C20H21N5O.C20H22N4O2S/c1-4-28(5-2)16-15-25-21-13-11-20(12-14-21)22-7-6-8-24-26-23(27-29(22)24)17-18(3)19-9-10-19;1-17(18-10-11-18)16-23-25-24-9-5-8-22(28(24)26-23)19-12-14-20(15-13-19)27-31(29,30)21-6-3-2-4-7-21;1-13(14-5-6-14)11-18-23-19-4-2-3-17(25(19)24-18)15-7-9-16(10-8-15)22-20(26)12-21;1-3-27(25,26)23-17-11-9-16(10-12-17)18-5-4-6-20-21-19(22-24(18)20)13-14(2)15-7-8-15/h6-8,11-14,19,25H,3-5,9-10,15-17H2,1-2H3;2-9,12-15,18,27H,1,10-11,16H2;2-4,7-10,14H,1,5-6,11-12,21H2,(H,22,26);4-6,9-12,15,23H,2-3,7-8,13H2,1H3
InChIKeyNDPDHCPVBBSHDE-UHFFFAOYSA-N
XLogP15.83
TPSA283.49 Ų
H-Bond Donors5
H-Bond Acceptors20
Rotatable Bonds30
Heavy Atoms113
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001549.99
LogP ≤ 515.83
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-amino-N-[4-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]acetamide;N-[4-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]benzenesulfonamide;N-[4-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]-N',N'-diethylethane-1,2-diamine;N-[4-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]ethanesulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]acetamide;N-[4-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]benzenesulfonamide;N-[4-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]-N',N'-diethylethane-1,2-diamine;N-[4-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]ethanesulfonamide?
The IUPAC name of 2-amino-N-[4-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]acetamide;N-[4-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]benzenesulfonamide;N-[4-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]-N',N'-diethylethane-1,2-diamine;N-[4-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]ethanesulfonamide (CID 159750542) is 2-amino-N-[4-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]acetamide;N-[4-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]benzenesulfonamide;N-[4-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]-N',N'-diethylethane-1,2-diamine;N-[4-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]ethanesulfonamide.
What is the SMILES notation for 2-amino-N-[4-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]acetamide;N-[4-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]benzenesulfonamide;N-[4-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]-N',N'-diethylethane-1,2-diamine;N-[4-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]ethanesulfonamide?
The canonical SMILES for 2-amino-N-[4-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]acetamide;N-[4-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]benzenesulfonamide;N-[4-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]-N',N'-diethylethane-1,2-diamine;N-[4-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]ethanesulfonamide is C=C(Cc1nc2cccc(-c3ccc(NC(=O)CN)cc3)n2n1)C1CC1.C=C(Cc1nc2cccc(-c3ccc(NCCN(CC)CC)cc3)n2n1)C1CC1.C=C(Cc1nc2cccc(-c3ccc(NS(=O)(=O)CC)cc3)n2n1)C1CC1.C=C(Cc1nc2cccc(-c3ccc(NS(=O)(=O)c4ccccc4)cc3)n2n1)C1CC1.
What is the InChIKey of 2-amino-N-[4-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]acetamide;N-[4-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]benzenesulfonamide;N-[4-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]-N',N'-diethylethane-1,2-diamine;N-[4-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]ethanesulfonamide?
The InChIKey is NDPDHCPVBBSHDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5.C24H22N4O2S.C20H21N5O.C20H22N4O2S/c1-4-28(5-2)16-15-25-21-13-11-20(12-14-21)22-7-6-8-24-26-23(27-29(22)24)17-18(3)19-9-10-19;1-17(18-10-11-18)16-23-25-24-9-5-8-22(28(24)26-23)19-12-14-20(15-13-19)27-31(29,30)21-6-3-2-4-7-21;1-13(14-5-6-14)11-18-23-19-4-2-3-17(25(19)24-18)15-7-9-16(10-8-15)22-20(26)12-21;1-3-27(25,26)23-17-11-9-16(10-12-17)18-5-4-6-20-21-19(22-24(18)20)13-14(2)15-7-8-15/h6-8,11-14,19,25H,3-5,9-10,15-17H2,1-2H3;2-9,12-15,18,27H,1,10-11,16H2;2-4,7-10,14H,1,5-6,11-12,21H2,(H,22,26);4-6,9-12,15,23H,2-3,7-8,13H2,1H3.
What are the key properties of 2-amino-N-[4-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]acetamide;N-[4-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]benzenesulfonamide;N-[4-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]-N',N'-diethylethane-1,2-diamine;N-[4-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]ethanesulfonamide?
2-amino-N-[4-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]acetamide;N-[4-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]benzenesulfonamide;N-[4-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]-N',N'-diethylethane-1,2-diamine;N-[4-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]ethanesulfonamide has a molecular weight of 1549.99 g/mol, XLogP of 15.83, 30 rotatable bonds, 5 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]acetamide;N-[4-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]benzenesulfonamide;N-[4-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]-N',N'-diethylethane-1,2-diamine;N-[4-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]ethanesulfonamide is sourced from PubChem (CID 159750542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).