N-(4-methyl-1,3,5-triazin-2-yl)-1H-indazol-3-amine;3-propan-2-yl-2H-pyrazolo[3,4-b]pyridine;3-propan-2-yl-2H-pyrazolo[4,3-c]pyridine;3-propan-2-yl-2H-pyrazolo[3,4-d]pyrimidine;3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole

C47H58N18 — CID 158482270

About N-(4-methyl-1,3,5-triazin-2-yl)-1H-indazol-3-amine;3-propan-2-yl-2H-pyrazolo[3,4-b]pyridine;3-propan-2-yl-2H-pyrazolo[4,3-c]pyridine;3-propan-2-yl-2H-pyrazolo[3,4-d]pyrimidine;3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole

N-(4-methyl-1,3,5-triazin-2-yl)-1H-indazol-3-amine;3-propan-2-yl-2H-pyrazolo[3,4-b]pyridine;3-propan-2-yl-2H-pyrazolo[4,3-c]pyridine;3-propan-2-yl-2H-pyrazolo[3,4-d]pyrimidine;3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole (PubChem CID 158482270) has the molecular formula C47H58N18 and a molecular weight of 875.11 g/mol. Its IUPAC name is N-(4-methyl-1,3,5-triazin-2-yl)-1H-indazol-3-amine;3-propan-2-yl-2H-pyrazolo[3,4-b]pyridine;3-propan-2-yl-2H-pyrazolo[4,3-c]pyridine;3-propan-2-yl-2H-pyrazolo[3,4-d]pyrimidine;3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole.

Molecular Properties

• Compound Name: N-(4-methyl-1,3,5-triazin-2-yl)-1H-indazol-3-amine;3-propan-2-yl-2H-pyrazolo[3,4-b]pyridine;3-propan-2-yl-2H-pyrazolo[4,3-c]pyridine;3-propan-2-yl-2H-pyrazolo[3,4-d]pyrimidine;3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole
• PubChem CID: 158482270
• Molecular Formula: C47H58N18
• Molecular Weight: 875.11 g/mol
• Exact Mass: 874.51
• IUPAC Name: N-(4-methyl-1,3,5-triazin-2-yl)-1H-indazol-3-amine;3-propan-2-yl-2H-pyrazolo[3,4-b]pyridine;3-propan-2-yl-2H-pyrazolo[4,3-c]pyridine;3-propan-2-yl-2H-pyrazolo[3,4-d]pyrimidine;3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole
• SMILES: CC(C)c1[nH]nc2ccncc12.CC(C)c1[nH]nc2ncccc12.CC(C)c1[nH]nc2ncncc12.CC(C)c1n[nH]c2c1CCCC2.Cc1ncnc(Nc2n[nH]c3ccccc23)n1
• InChI: InChI=1S/C11H10N6.C10H16N2.2C9H11N3.C8H10N4/c1-7-12-6-13-11(14-7)15-10-8-4-2-3-5-9(8)16-17-10;1-7(2)10-8-5-3-4-6-9(8)11-12-10;1-6(2)9-7-5-10-4-3-8(7)11-12-9;1-6(2)8-7-4-3-5-10-9(7)12-11-8;1-5(2)7-6-3-9-4-10-8(6)12-11-7/h2-6H,1H3,(H2,12,13,14,15,16,17);7H,3-6H2,1-2H3,(H,11,12);3-6H,1-2H3,(H,11,12);3-6H,1-2H3,(H,10,11,12);3-5H,1-2H3,(H,9,10,11,12)
• InChIKey: HHQWFSGJXJUIRG-UHFFFAOYSA-N
• XLogP: 9.85
• TPSA: 245.66 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 13
• Rotatable Bonds: 6
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	875.11
LogP ≤ 5	9.85
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-1,3,5-triazin-2-yl)-1H-indazol-3-amine;3-propan-2-yl-2H-pyrazolo[3,4-b]pyridine;3-propan-2-yl-2H-pyrazolo[4,3-c]pyridine;3-propan-2-yl-2H-pyrazolo[3,4-d]pyrimidine;3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole?

The IUPAC name of N-(4-methyl-1,3,5-triazin-2-yl)-1H-indazol-3-amine;3-propan-2-yl-2H-pyrazolo[3,4-b]pyridine;3-propan-2-yl-2H-pyrazolo[4,3-c]pyridine;3-propan-2-yl-2H-pyrazolo[3,4-d]pyrimidine;3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole (CID 158482270) is N-(4-methyl-1,3,5-triazin-2-yl)-1H-indazol-3-amine;3-propan-2-yl-2H-pyrazolo[3,4-b]pyridine;3-propan-2-yl-2H-pyrazolo[4,3-c]pyridine;3-propan-2-yl-2H-pyrazolo[3,4-d]pyrimidine;3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole.

What is the SMILES notation for N-(4-methyl-1,3,5-triazin-2-yl)-1H-indazol-3-amine;3-propan-2-yl-2H-pyrazolo[3,4-b]pyridine;3-propan-2-yl-2H-pyrazolo[4,3-c]pyridine;3-propan-2-yl-2H-pyrazolo[3,4-d]pyrimidine;3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole?

The canonical SMILES for N-(4-methyl-1,3,5-triazin-2-yl)-1H-indazol-3-amine;3-propan-2-yl-2H-pyrazolo[3,4-b]pyridine;3-propan-2-yl-2H-pyrazolo[4,3-c]pyridine;3-propan-2-yl-2H-pyrazolo[3,4-d]pyrimidine;3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole is CC(C)c1[nH]nc2ccncc12.CC(C)c1[nH]nc2ncccc12.CC(C)c1[nH]nc2ncncc12.CC(C)c1n[nH]c2c1CCCC2.Cc1ncnc(Nc2n[nH]c3ccccc23)n1.

What is the InChIKey of N-(4-methyl-1,3,5-triazin-2-yl)-1H-indazol-3-amine;3-propan-2-yl-2H-pyrazolo[3,4-b]pyridine;3-propan-2-yl-2H-pyrazolo[4,3-c]pyridine;3-propan-2-yl-2H-pyrazolo[3,4-d]pyrimidine;3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole?

The InChIKey is HHQWFSGJXJUIRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N6.C10H16N2.2C9H11N3.C8H10N4/c1-7-12-6-13-11(14-7)15-10-8-4-2-3-5-9(8)16-17-10;1-7(2)10-8-5-3-4-6-9(8)11-12-10;1-6(2)9-7-5-10-4-3-8(7)11-12-9;1-6(2)8-7-4-3-5-10-9(7)12-11-8;1-5(2)7-6-3-9-4-10-8(6)12-11-7/h2-6H,1H3,(H2,12,13,14,15,16,17);7H,3-6H2,1-2H3,(H,11,12);3-6H,1-2H3,(H,11,12);3-6H,1-2H3,(H,10,11,12);3-5H,1-2H3,(H,9,10,11,12).

What are the key properties of N-(4-methyl-1,3,5-triazin-2-yl)-1H-indazol-3-amine;3-propan-2-yl-2H-pyrazolo[3,4-b]pyridine;3-propan-2-yl-2H-pyrazolo[4,3-c]pyridine;3-propan-2-yl-2H-pyrazolo[3,4-d]pyrimidine;3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole?

N-(4-methyl-1,3,5-triazin-2-yl)-1H-indazol-3-amine;3-propan-2-yl-2H-pyrazolo[3,4-b]pyridine;3-propan-2-yl-2H-pyrazolo[4,3-c]pyridine;3-propan-2-yl-2H-pyrazolo[3,4-d]pyrimidine;3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole has a molecular weight of 875.11 g/mol, XLogP of 9.85, 6 rotatable bonds, 6 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-methyl-1,3,5-triazin-2-yl)-1H-indazol-3-amine;3-propan-2-yl-2H-pyrazolo[3,4-b]pyridine;3-propan-2-yl-2H-pyrazolo[4,3-c]pyridine;3-propan-2-yl-2H-pyrazolo[3,4-d]pyrimidine;3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole is sourced from PubChem (CID 158482270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).