methane;N-(3-methylphenyl)-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

C51H65N15 — CID 158536438

About methane;N-(3-methylphenyl)-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

methane;N-(3-methylphenyl)-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 158536438) has the molecular formula C51H65N15 and a molecular weight of 888.19 g/mol. Its IUPAC name is methane;N-(3-methylphenyl)-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: methane;N-(3-methylphenyl)-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: 158536438
• Molecular Formula: C51H65N15
• Molecular Weight: 888.19 g/mol
• Exact Mass: 887.55
• IUPAC Name: methane;N-(3-methylphenyl)-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: C.CC(C)c1[nH]nc2ccncc12.CC(C)c1[nH]nc2ncccc12.CC(C)c1[nH]nc2ncncc12.CC(C)c1n[nH]c2c1CCCC2.Cc1cccc(Nc2n[nH]c3ccccc23)c1
• InChI: InChI=1S/C14H13N3.C10H16N2.2C9H11N3.C8H10N4.CH4/c1-10-5-4-6-11(9-10)15-14-12-7-2-3-8-13(12)16-17-14;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;/h2-9H,1H3,(H2,15,16,17);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);1H4
• InChIKey: HNZPQHCVPJCDFK-UHFFFAOYSA-N
• XLogP: 12.30
• TPSA: 206.99 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	888.19
LogP ≤ 5	12.30
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of methane;N-(3-methylphenyl)-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 methane;N-(3-methylphenyl)-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 158536438) is methane;N-(3-methylphenyl)-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 methane;N-(3-methylphenyl)-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 methane;N-(3-methylphenyl)-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 C.CC(C)c1[nH]nc2ccncc12.CC(C)c1[nH]nc2ncccc12.CC(C)c1[nH]nc2ncncc12.CC(C)c1n[nH]c2c1CCCC2.Cc1cccc(Nc2n[nH]c3ccccc23)c1.

What is the InChIKey of methane;N-(3-methylphenyl)-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 HNZPQHCVPJCDFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3.C10H16N2.2C9H11N3.C8H10N4.CH4/c1-10-5-4-6-11(9-10)15-14-12-7-2-3-8-13(12)16-17-14;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;/h2-9H,1H3,(H2,15,16,17);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);1H4.

What are the key properties of methane;N-(3-methylphenyl)-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?

methane;N-(3-methylphenyl)-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 888.19 g/mol, XLogP of 12.30, 6 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for methane;N-(3-methylphenyl)-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 158536438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).