4-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-methylpiperidine;1-imidazo[1,2-a]pyridin-2-yl-N-methylmethanamine;1-(1-methylpiperidin-4-yl)ethenol;1-(1-methylpiperidin-4-yl)-3H-indol-2-one;5-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine

C48H73N13O2 — CID 158220640

About 4-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-methylpiperidine;1-imidazo[1,2-a]pyridin-2-yl-N-methylmethanamine;1-(1-methylpiperidin-4-yl)ethenol;1-(1-methylpiperidin-4-yl)-3H-indol-2-one;5-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine

4-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-methylpiperidine;1-imidazo[1,2-a]pyridin-2-yl-N-methylmethanamine;1-(1-methylpiperidin-4-yl)ethenol;1-(1-methylpiperidin-4-yl)-3H-indol-2-one;5-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine (PubChem CID 158220640) has the molecular formula C48H73N13O2 and a molecular weight of 864.20 g/mol. Its IUPAC name is 4-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-methylpiperidine;1-imidazo[1,2-a]pyridin-2-yl-N-methylmethanamine;1-(1-methylpiperidin-4-yl)ethenol;1-(1-methylpiperidin-4-yl)-3H-indol-2-one;5-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine.

Molecular Properties

• Compound Name: 4-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-methylpiperidine;1-imidazo[1,2-a]pyridin-2-yl-N-methylmethanamine;1-(1-methylpiperidin-4-yl)ethenol;1-(1-methylpiperidin-4-yl)-3H-indol-2-one;5-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine
• PubChem CID: 158220640
• Molecular Formula: C48H73N13O2
• Molecular Weight: 864.20 g/mol
• Exact Mass: 863.60
• IUPAC Name: 4-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-methylpiperidine;1-imidazo[1,2-a]pyridin-2-yl-N-methylmethanamine;1-(1-methylpiperidin-4-yl)ethenol;1-(1-methylpiperidin-4-yl)-3H-indol-2-one;5-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine
• SMILES: C=C(O)C1CCN(C)CC1.CN1CCC(N2C(=O)Cc3ccccc32)CC1.CN1CCc2[nH]ncc2C1.CNCc1cn2ccccc2n1.Cc1nnc(C)n1C1CCN(C)CC1
• InChI: InChI=1S/C14H18N2O.C10H18N4.C9H11N3.C8H15NO.C7H11N3/c1-15-8-6-12(7-9-15)16-13-5-3-2-4-11(13)10-14(16)17;1-8-11-12-9(2)14(8)10-4-6-13(3)7-5-10;1-10-6-8-7-12-5-3-2-4-9(12)11-8;1-7(10)8-3-5-9(2)6-4-8;1-10-3-2-7-6(5-10)4-8-9-7/h2-5,12H,6-10H2,1H3;10H,4-7H2,1-3H3;2-5,7,10H,6H2,1H3;8,10H,1,3-6H2,2H3;4H,2-3,5H2,1H3,(H,8,9)
• InChIKey: GDEUZAJCHGJEHN-UHFFFAOYSA-N
• XLogP: 5.68
• TPSA: 142.22 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 13
• Rotatable Bonds: 5
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	864.20
LogP ≤ 5	5.68
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-methylpiperidine;1-imidazo[1,2-a]pyridin-2-yl-N-methylmethanamine;1-(1-methylpiperidin-4-yl)ethenol;1-(1-methylpiperidin-4-yl)-3H-indol-2-one;5-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine?

The IUPAC name of 4-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-methylpiperidine;1-imidazo[1,2-a]pyridin-2-yl-N-methylmethanamine;1-(1-methylpiperidin-4-yl)ethenol;1-(1-methylpiperidin-4-yl)-3H-indol-2-one;5-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine (CID 158220640) is 4-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-methylpiperidine;1-imidazo[1,2-a]pyridin-2-yl-N-methylmethanamine;1-(1-methylpiperidin-4-yl)ethenol;1-(1-methylpiperidin-4-yl)-3H-indol-2-one;5-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine.

What is the SMILES notation for 4-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-methylpiperidine;1-imidazo[1,2-a]pyridin-2-yl-N-methylmethanamine;1-(1-methylpiperidin-4-yl)ethenol;1-(1-methylpiperidin-4-yl)-3H-indol-2-one;5-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine?

The canonical SMILES for 4-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-methylpiperidine;1-imidazo[1,2-a]pyridin-2-yl-N-methylmethanamine;1-(1-methylpiperidin-4-yl)ethenol;1-(1-methylpiperidin-4-yl)-3H-indol-2-one;5-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine is C=C(O)C1CCN(C)CC1.CN1CCC(N2C(=O)Cc3ccccc32)CC1.CN1CCc2[nH]ncc2C1.CNCc1cn2ccccc2n1.Cc1nnc(C)n1C1CCN(C)CC1.

What is the InChIKey of 4-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-methylpiperidine;1-imidazo[1,2-a]pyridin-2-yl-N-methylmethanamine;1-(1-methylpiperidin-4-yl)ethenol;1-(1-methylpiperidin-4-yl)-3H-indol-2-one;5-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine?

The InChIKey is GDEUZAJCHGJEHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O.C10H18N4.C9H11N3.C8H15NO.C7H11N3/c1-15-8-6-12(7-9-15)16-13-5-3-2-4-11(13)10-14(16)17;1-8-11-12-9(2)14(8)10-4-6-13(3)7-5-10;1-10-6-8-7-12-5-3-2-4-9(12)11-8;1-7(10)8-3-5-9(2)6-4-8;1-10-3-2-7-6(5-10)4-8-9-7/h2-5,12H,6-10H2,1H3;10H,4-7H2,1-3H3;2-5,7,10H,6H2,1H3;8,10H,1,3-6H2,2H3;4H,2-3,5H2,1H3,(H,8,9).

What are the key properties of 4-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-methylpiperidine;1-imidazo[1,2-a]pyridin-2-yl-N-methylmethanamine;1-(1-methylpiperidin-4-yl)ethenol;1-(1-methylpiperidin-4-yl)-3H-indol-2-one;5-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine?

4-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-methylpiperidine;1-imidazo[1,2-a]pyridin-2-yl-N-methylmethanamine;1-(1-methylpiperidin-4-yl)ethenol;1-(1-methylpiperidin-4-yl)-3H-indol-2-one;5-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine has a molecular weight of 864.20 g/mol, XLogP of 5.68, 5 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-methylpiperidine;1-imidazo[1,2-a]pyridin-2-yl-N-methylmethanamine;1-(1-methylpiperidin-4-yl)ethenol;1-(1-methylpiperidin-4-yl)-3H-indol-2-one;5-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine is sourced from PubChem (CID 158220640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).