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-(2,5,6-trimethylpyrimidin-4-yl)-1H-indazol-3-amine

C50H63N17 — CID 160844832

About 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-(2,5,6-trimethylpyrimidin-4-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-(2,5,6-trimethylpyrimidin-4-yl)-1H-indazol-3-amine (PubChem CID 160844832) has the molecular formula C50H63N17 and a molecular weight of 902.17 g/mol. Its IUPAC name is 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-(2,5,6-trimethylpyrimidin-4-yl)-1H-indazol-3-amine.

Molecular Properties

• Compound Name: 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-(2,5,6-trimethylpyrimidin-4-yl)-1H-indazol-3-amine
• PubChem CID: 160844832
• Molecular Formula: C50H63N17
• Molecular Weight: 902.17 g/mol
• Exact Mass: 901.55
• IUPAC Name: 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-(2,5,6-trimethylpyrimidin-4-yl)-1H-indazol-3-amine
• SMILES: CC(C)c1[nH]nc2ccncc12.CC(C)c1[nH]nc2ncccc12.CC(C)c1[nH]nc2ncncc12.CC(C)c1n[nH]c2c1CCCC2.Cc1nc(C)c(C)c(Nc2n[nH]c3ccccc23)n1
• InChI: InChI=1S/C14H15N5.C10H16N2.2C9H11N3.C8H10N4/c1-8-9(2)15-10(3)16-13(8)17-14-11-6-4-5-7-12(11)18-19-14;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/h4-7H,1-3H3,(H2,15,16,17,18,19);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: SIMUEUFZGHHDAB-UHFFFAOYSA-N
• XLogP: 11.07
• TPSA: 232.77 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 12
• Rotatable Bonds: 6
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	902.17
LogP ≤ 5	11.07
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 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-(2,5,6-trimethylpyrimidin-4-yl)-1H-indazol-3-amine?

The IUPAC name of 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-(2,5,6-trimethylpyrimidin-4-yl)-1H-indazol-3-amine (CID 160844832) is 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-(2,5,6-trimethylpyrimidin-4-yl)-1H-indazol-3-amine.

What is the SMILES notation for 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-(2,5,6-trimethylpyrimidin-4-yl)-1H-indazol-3-amine?

The canonical SMILES for 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-(2,5,6-trimethylpyrimidin-4-yl)-1H-indazol-3-amine is CC(C)c1[nH]nc2ccncc12.CC(C)c1[nH]nc2ncccc12.CC(C)c1[nH]nc2ncncc12.CC(C)c1n[nH]c2c1CCCC2.Cc1nc(C)c(C)c(Nc2n[nH]c3ccccc23)n1.

What is the InChIKey of 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-(2,5,6-trimethylpyrimidin-4-yl)-1H-indazol-3-amine?

The InChIKey is SIMUEUFZGHHDAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5.C10H16N2.2C9H11N3.C8H10N4/c1-8-9(2)15-10(3)16-13(8)17-14-11-6-4-5-7-12(11)18-19-14;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/h4-7H,1-3H3,(H2,15,16,17,18,19);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 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-(2,5,6-trimethylpyrimidin-4-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-(2,5,6-trimethylpyrimidin-4-yl)-1H-indazol-3-amine has a molecular weight of 902.17 g/mol, XLogP of 11.07, 6 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 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-(2,5,6-trimethylpyrimidin-4-yl)-1H-indazol-3-amine is sourced from PubChem (CID 160844832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).