N-[[4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-methylidene-oxo-λ6-sulfanyl]-N',N'-diethylethane-1,2-diamine;5-[3-(1-ethylpyrazol-4-yl)phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-(1-methylpyrazol-4-yl)phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;1-phenyl-3-[3-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]urea

C118H127N25O6S — CID 158710010

About N-[[4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-methylidene-oxo-λ6-sulfanyl]-N',N'-diethylethane-1,2-diamine;5-[3-(1-ethylpyrazol-4-yl)phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-(1-methylpyrazol-4-yl)phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;1-phenyl-3-[3-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]urea

N-[[4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-methylidene-oxo-λ6-sulfanyl]-N',N'-diethylethane-1,2-diamine;5-[3-(1-ethylpyrazol-4-yl)phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-(1-methylpyrazol-4-yl)phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;1-phenyl-3-[3-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]urea (PubChem CID 158710010) has the molecular formula C118H127N25O6S and a molecular weight of 2023.55 g/mol. Its IUPAC name is N-[[4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-methylidene-oxo-λ6-sulfanyl]-N',N'-diethylethane-1,2-diamine;5-[3-(1-ethylpyrazol-4-yl)phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-(1-methylpyrazol-4-yl)phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;1-phenyl-3-[3-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]urea.

Molecular Properties

• Compound Name: N-[[4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-methylidene-oxo-λ6-sulfanyl]-N',N'-diethylethane-1,2-diamine;5-[3-(1-ethylpyrazol-4-yl)phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-(1-methylpyrazol-4-yl)phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;1-phenyl-3-[3-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]urea
• PubChem CID: 158710010
• Molecular Formula: C118H127N25O6S
• Molecular Weight: 2023.55 g/mol
• Exact Mass: 2022.01
• IUPAC Name: N-[[4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-methylidene-oxo-λ6-sulfanyl]-N',N'-diethylethane-1,2-diamine;5-[3-(1-ethylpyrazol-4-yl)phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-(1-methylpyrazol-4-yl)phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;1-phenyl-3-[3-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]urea
• SMILES: C=S(=O)(NCCN(CC)CC)c1ccc(Cc2nc3cccc(-c4ccc5c(c4)OCCO5)n3n2)cc1.CCn1cc(-c2cccc(-c3cccc4nc(Nc5ccc(OCCN6CCCC6)cc5)nn34)c2)cn1.Cn1cc(-c2cccc(-c3cccc4nc(Nc5ccc(OCCN6CCCC6)cc5)nn34)c2)cn1.O=C(Nc1ccccc1)Nc1cccc(-c2cccc3nc(Cc4ccc(CCCN5CCCC5)cc4)nn23)c1
• InChI: InChI=1S/C33H34N6O.C29H31N7O.C28H29N7O.C28H33N5O3S/c40-33(34-28-11-2-1-3-12-28)35-29-13-6-10-27(24-29)30-14-7-15-32-36-31(37-39(30)32)23-26-18-16-25(17-19-26)9-8-22-38-20-4-5-21-38;1-2-35-21-24(20-30-35)22-7-5-8-23(19-22)27-9-6-10-28-32-29(33-36(27)28)31-25-11-13-26(14-12-25)37-18-17-34-15-3-4-16-34;1-33-20-23(19-29-33)21-6-4-7-22(18-21)26-8-5-9-27-31-28(32-35(26)27)30-24-10-12-25(13-11-24)36-17-16-34-14-2-3-15-34;1-4-32(5-2)16-15-29-37(3,34)23-12-9-21(10-13-23)19-27-30-28-8-6-7-24(33(28)31-27)22-11-14-25-26(20-22)36-18-17-35-25/h1-3,6-7,10-19,24H,4-5,8-9,20-23H2,(H2,34,35,40);5-14,19-21H,2-4,15-18H2,1H3,(H,31,33);4-13,18-20H,2-3,14-17H2,1H3,(H,30,32);6-14,20H,3-5,15-19H2,1-2H3,(H,29,34)
• InChIKey: IIPGVXJWIHFIND-UHFFFAOYSA-N
• XLogP: 20.85
• TPSA: 300.57 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 28
• Rotatable Bonds: 36
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2023.55
LogP ≤ 5	20.85
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[[4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-methylidene-oxo-λ6-sulfanyl]-N',N'-diethylethane-1,2-diamine;5-[3-(1-ethylpyrazol-4-yl)phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-(1-methylpyrazol-4-yl)phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;1-phenyl-3-[3-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]urea?

The IUPAC name of N-[[4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-methylidene-oxo-λ6-sulfanyl]-N',N'-diethylethane-1,2-diamine;5-[3-(1-ethylpyrazol-4-yl)phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-(1-methylpyrazol-4-yl)phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;1-phenyl-3-[3-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]urea (CID 158710010) is N-[[4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-methylidene-oxo-λ6-sulfanyl]-N',N'-diethylethane-1,2-diamine;5-[3-(1-ethylpyrazol-4-yl)phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-(1-methylpyrazol-4-yl)phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;1-phenyl-3-[3-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]urea.

What is the SMILES notation for N-[[4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-methylidene-oxo-λ6-sulfanyl]-N',N'-diethylethane-1,2-diamine;5-[3-(1-ethylpyrazol-4-yl)phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-(1-methylpyrazol-4-yl)phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;1-phenyl-3-[3-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]urea?

The canonical SMILES for N-[[4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-methylidene-oxo-λ6-sulfanyl]-N',N'-diethylethane-1,2-diamine;5-[3-(1-ethylpyrazol-4-yl)phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-(1-methylpyrazol-4-yl)phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;1-phenyl-3-[3-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]urea is C=S(=O)(NCCN(CC)CC)c1ccc(Cc2nc3cccc(-c4ccc5c(c4)OCCO5)n3n2)cc1.CCn1cc(-c2cccc(-c3cccc4nc(Nc5ccc(OCCN6CCCC6)cc5)nn34)c2)cn1.Cn1cc(-c2cccc(-c3cccc4nc(Nc5ccc(OCCN6CCCC6)cc5)nn34)c2)cn1.O=C(Nc1ccccc1)Nc1cccc(-c2cccc3nc(Cc4ccc(CCCN5CCCC5)cc4)nn23)c1.

What is the InChIKey of N-[[4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-methylidene-oxo-λ6-sulfanyl]-N',N'-diethylethane-1,2-diamine;5-[3-(1-ethylpyrazol-4-yl)phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-(1-methylpyrazol-4-yl)phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;1-phenyl-3-[3-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]urea?

The InChIKey is IIPGVXJWIHFIND-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H34N6O.C29H31N7O.C28H29N7O.C28H33N5O3S/c40-33(34-28-11-2-1-3-12-28)35-29-13-6-10-27(24-29)30-14-7-15-32-36-31(37-39(30)32)23-26-18-16-25(17-19-26)9-8-22-38-20-4-5-21-38;1-2-35-21-24(20-30-35)22-7-5-8-23(19-22)27-9-6-10-28-32-29(33-36(27)28)31-25-11-13-26(14-12-25)37-18-17-34-15-3-4-16-34;1-33-20-23(19-29-33)21-6-4-7-22(18-21)26-8-5-9-27-31-28(32-35(26)27)30-24-10-12-25(13-11-24)36-17-16-34-14-2-3-15-34;1-4-32(5-2)16-15-29-37(3,34)23-12-9-21(10-13-23)19-27-30-28-8-6-7-24(33(28)31-27)22-11-14-25-26(20-22)36-18-17-35-25/h1-3,6-7,10-19,24H,4-5,8-9,20-23H2,(H2,34,35,40);5-14,19-21H,2-4,15-18H2,1H3,(H,31,33);4-13,18-20H,2-3,14-17H2,1H3,(H,30,32);6-14,20H,3-5,15-19H2,1-2H3,(H,29,34).

What are the key properties of N-[[4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-methylidene-oxo-λ6-sulfanyl]-N',N'-diethylethane-1,2-diamine;5-[3-(1-ethylpyrazol-4-yl)phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-(1-methylpyrazol-4-yl)phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;1-phenyl-3-[3-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]urea?

N-[[4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-methylidene-oxo-λ6-sulfanyl]-N',N'-diethylethane-1,2-diamine;5-[3-(1-ethylpyrazol-4-yl)phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-(1-methylpyrazol-4-yl)phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;1-phenyl-3-[3-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]urea has a molecular weight of 2023.55 g/mol, XLogP of 20.85, 36 rotatable bonds, 5 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-methylidene-oxo-λ6-sulfanyl]-N',N'-diethylethane-1,2-diamine;5-[3-(1-ethylpyrazol-4-yl)phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-(1-methylpyrazol-4-yl)phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;1-phenyl-3-[3-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]urea is sourced from PubChem (CID 158710010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).