5-(1H-indol-6-yl)-2-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-[1-(4-methylpentyl)pyrazol-4-yl]-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;1-phenyl-2-[4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]pyrazol-1-yl]ethanone

C117H135N23O3 — CID 158110365

About 5-(1H-indol-6-yl)-2-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-[1-(4-methylpentyl)pyrazol-4-yl]-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;1-phenyl-2-[4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]pyrazol-1-yl]ethanone

5-(1H-indol-6-yl)-2-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-[1-(4-methylpentyl)pyrazol-4-yl]-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;1-phenyl-2-[4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]pyrazol-1-yl]ethanone (PubChem CID 158110365) has the molecular formula C117H135N23O3 and a molecular weight of 1911.52 g/mol. Its IUPAC name is 5-(1H-indol-6-yl)-2-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-[1-(4-methylpentyl)pyrazol-4-yl]-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;1-phenyl-2-[4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]pyrazol-1-yl]ethanone.

Molecular Properties

• Compound Name: 5-(1H-indol-6-yl)-2-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-[1-(4-methylpentyl)pyrazol-4-yl]-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;1-phenyl-2-[4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]pyrazol-1-yl]ethanone
• PubChem CID: 158110365
• Molecular Formula: C117H135N23O3
• Molecular Weight: 1911.52 g/mol
• Exact Mass: 1910.11
• IUPAC Name: 5-(1H-indol-6-yl)-2-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-[1-(4-methylpentyl)pyrazol-4-yl]-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;1-phenyl-2-[4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]pyrazol-1-yl]ethanone
• SMILES: CC(C)CCCn1cc(-c2cccc3nc(Cc4ccc(CCCN5CCCC5)cc4)nn23)cn1.O=C(Cn1cc(-c2cccc3nc(Cc4ccc(CCCN5CCCC5)cc4)nn23)cn1)c1ccccc1.c1cc(-c2ccc3cc[nH]c3c2)n2nc(Cc3ccc(OCCCN4CCCCC4)cc3)nc2c1.c1cc(-c2cnn(CC3CCCO3)c2)n2nc(Cc3ccc(CCCN4CCCC4)cc3)nc2c1
• InChI: InChI=1S/C31H32N6O.C29H38N6.C29H31N5O.C28H34N6O/c38-29(26-9-2-1-3-10-26)23-36-22-27(21-32-36)28-11-6-12-31-33-30(34-37(28)31)20-25-15-13-24(14-16-25)8-7-19-35-17-4-5-18-35;1-23(2)8-6-19-34-22-26(21-30-34)27-10-5-11-29-31-28(32-35(27)29)20-25-14-12-24(13-15-25)9-7-18-33-16-3-4-17-33;1-2-16-33(17-3-1)18-5-19-35-25-12-8-22(9-13-25)20-28-31-29-7-4-6-27(34(29)32-28)24-11-10-23-14-15-30-26(23)21-24;1-2-15-32(14-1)16-4-6-22-10-12-23(13-11-22)18-27-30-28-9-3-8-26(34(28)31-27)24-19-29-33(20-24)21-25-7-5-17-35-25/h1-3,6,9-16,21-22H,4-5,7-8,17-20,23H2;5,10-15,21-23H,3-4,6-9,16-20H2,1-2H3;4,6-15,21,30H,1-3,5,16-20H2;3,8-13,19-20,25H,1-2,4-7,14-18,21H2
• InChIKey: FQIXGFDGGZJKAM-UHFFFAOYSA-N
• XLogP: 20.86
• TPSA: 238.50 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 25
• Rotatable Bonds: 38
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1911.52
LogP ≤ 5	20.86
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-(1H-indol-6-yl)-2-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-[1-(4-methylpentyl)pyrazol-4-yl]-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;1-phenyl-2-[4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]pyrazol-1-yl]ethanone?

The IUPAC name of 5-(1H-indol-6-yl)-2-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-[1-(4-methylpentyl)pyrazol-4-yl]-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;1-phenyl-2-[4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]pyrazol-1-yl]ethanone (CID 158110365) is 5-(1H-indol-6-yl)-2-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-[1-(4-methylpentyl)pyrazol-4-yl]-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;1-phenyl-2-[4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]pyrazol-1-yl]ethanone.

What is the SMILES notation for 5-(1H-indol-6-yl)-2-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-[1-(4-methylpentyl)pyrazol-4-yl]-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;1-phenyl-2-[4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]pyrazol-1-yl]ethanone?

The canonical SMILES for 5-(1H-indol-6-yl)-2-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-[1-(4-methylpentyl)pyrazol-4-yl]-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;1-phenyl-2-[4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]pyrazol-1-yl]ethanone is CC(C)CCCn1cc(-c2cccc3nc(Cc4ccc(CCCN5CCCC5)cc4)nn23)cn1.O=C(Cn1cc(-c2cccc3nc(Cc4ccc(CCCN5CCCC5)cc4)nn23)cn1)c1ccccc1.c1cc(-c2ccc3cc[nH]c3c2)n2nc(Cc3ccc(OCCCN4CCCCC4)cc3)nc2c1.c1cc(-c2cnn(CC3CCCO3)c2)n2nc(Cc3ccc(CCCN4CCCC4)cc3)nc2c1.

What is the InChIKey of 5-(1H-indol-6-yl)-2-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-[1-(4-methylpentyl)pyrazol-4-yl]-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;1-phenyl-2-[4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]pyrazol-1-yl]ethanone?

The InChIKey is FQIXGFDGGZJKAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32N6O.C29H38N6.C29H31N5O.C28H34N6O/c38-29(26-9-2-1-3-10-26)23-36-22-27(21-32-36)28-11-6-12-31-33-30(34-37(28)31)20-25-15-13-24(14-16-25)8-7-19-35-17-4-5-18-35;1-23(2)8-6-19-34-22-26(21-30-34)27-10-5-11-29-31-28(32-35(27)29)20-25-14-12-24(13-15-25)9-7-18-33-16-3-4-17-33;1-2-16-33(17-3-1)18-5-19-35-25-12-8-22(9-13-25)20-28-31-29-7-4-6-27(34(29)32-28)24-11-10-23-14-15-30-26(23)21-24;1-2-15-32(14-1)16-4-6-22-10-12-23(13-11-22)18-27-30-28-9-3-8-26(34(28)31-27)24-19-29-33(20-24)21-25-7-5-17-35-25/h1-3,6,9-16,21-22H,4-5,7-8,17-20,23H2;5,10-15,21-23H,3-4,6-9,16-20H2,1-2H3;4,6-15,21,30H,1-3,5,16-20H2;3,8-13,19-20,25H,1-2,4-7,14-18,21H2.

What are the key properties of 5-(1H-indol-6-yl)-2-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-[1-(4-methylpentyl)pyrazol-4-yl]-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;1-phenyl-2-[4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]pyrazol-1-yl]ethanone?

5-(1H-indol-6-yl)-2-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-[1-(4-methylpentyl)pyrazol-4-yl]-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;1-phenyl-2-[4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]pyrazol-1-yl]ethanone has a molecular weight of 1911.52 g/mol, XLogP of 20.86, 38 rotatable bonds, 1 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(1H-indol-6-yl)-2-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-[1-(4-methylpentyl)pyrazol-4-yl]-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;1-phenyl-2-[4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]pyrazol-1-yl]ethanone is sourced from PubChem (CID 158110365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).