3-chloro-5-propan-2-yl-2H-indazole;4-chloro-5-propan-2-yl-1H-indole;2-methylidene-6-propan-2-yl-3H-1,3-benzothiazole;2-methylidene-6-propan-2-yl-3H-1,3-benzoxazole;2-methylidene-5-propan-2-yl-1,3-dihydroindole;2-methyl-6-propan-2-yl-1,3-benzothiazole;bis(3-methyl-5-propan-2-yl-2H-indazole);7-methyl-5-propan-2-yl-1H-indazole;4-methyl-3-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidin-3-ium;bis(6-propan-2-yl-1H-benzimidazole);6-propan-2-yl-1H-indazole;4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;4-propan-2-yl-2H-pyrrole;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine

C178H218Cl2N27OS2+ — CID 158257278

About 3-chloro-5-propan-2-yl-2H-indazole;4-chloro-5-propan-2-yl-1H-indole;2-methylidene-6-propan-2-yl-3H-1,3-benzothiazole;2-methylidene-6-propan-2-yl-3H-1,3-benzoxazole;2-methylidene-5-propan-2-yl-1,3-dihydroindole;2-methyl-6-propan-2-yl-1,3-benzothiazole;bis(3-methyl-5-propan-2-yl-2H-indazole);7-methyl-5-propan-2-yl-1H-indazole;4-methyl-3-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidin-3-ium;bis(6-propan-2-yl-1H-benzimidazole);6-propan-2-yl-1H-indazole;4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;4-propan-2-yl-2H-pyrrole;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine

3-chloro-5-propan-2-yl-2H-indazole;4-chloro-5-propan-2-yl-1H-indole;2-methylidene-6-propan-2-yl-3H-1,3-benzothiazole;2-methylidene-6-propan-2-yl-3H-1,3-benzoxazole;2-methylidene-5-propan-2-yl-1,3-dihydroindole;2-methyl-6-propan-2-yl-1,3-benzothiazole;bis(3-methyl-5-propan-2-yl-2H-indazole);7-methyl-5-propan-2-yl-1H-indazole;4-methyl-3-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidin-3-ium;bis(6-propan-2-yl-1H-benzimidazole);6-propan-2-yl-1H-indazole;4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;4-propan-2-yl-2H-pyrrole;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine (PubChem CID 158257278) has the molecular formula C178H218Cl2N27OS2+ and a molecular weight of 2886.93 g/mol. Its IUPAC name is 3-chloro-5-propan-2-yl-2H-indazole;4-chloro-5-propan-2-yl-1H-indole;2-methylidene-6-propan-2-yl-3H-1,3-benzothiazole;2-methylidene-6-propan-2-yl-3H-1,3-benzoxazole;2-methylidene-5-propan-2-yl-1,3-dihydroindole;2-methyl-6-propan-2-yl-1,3-benzothiazole;bis(3-methyl-5-propan-2-yl-2H-indazole);7-methyl-5-propan-2-yl-1H-indazole;4-methyl-3-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidin-3-ium;bis(6-propan-2-yl-1H-benzimidazole);6-propan-2-yl-1H-indazole;4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;4-propan-2-yl-2H-pyrrole;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

• Compound Name: 3-chloro-5-propan-2-yl-2H-indazole;4-chloro-5-propan-2-yl-1H-indole;2-methylidene-6-propan-2-yl-3H-1,3-benzothiazole;2-methylidene-6-propan-2-yl-3H-1,3-benzoxazole;2-methylidene-5-propan-2-yl-1,3-dihydroindole;2-methyl-6-propan-2-yl-1,3-benzothiazole;bis(3-methyl-5-propan-2-yl-2H-indazole);7-methyl-5-propan-2-yl-1H-indazole;4-methyl-3-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidin-3-ium;bis(6-propan-2-yl-1H-benzimidazole);6-propan-2-yl-1H-indazole;4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;4-propan-2-yl-2H-pyrrole;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine
• PubChem CID: 158257278
• Molecular Formula: C178H218Cl2N27OS2+
• Molecular Weight: 2886.93 g/mol
• Exact Mass: 2883.67
• IUPAC Name: 3-chloro-5-propan-2-yl-2H-indazole;4-chloro-5-propan-2-yl-1H-indole;2-methylidene-6-propan-2-yl-3H-1,3-benzothiazole;2-methylidene-6-propan-2-yl-3H-1,3-benzoxazole;2-methylidene-5-propan-2-yl-1,3-dihydroindole;2-methyl-6-propan-2-yl-1,3-benzothiazole;bis(3-methyl-5-propan-2-yl-2H-indazole);7-methyl-5-propan-2-yl-1H-indazole;4-methyl-3-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidin-3-ium;bis(6-propan-2-yl-1H-benzimidazole);6-propan-2-yl-1H-indazole;4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;4-propan-2-yl-2H-pyrrole;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine
• SMILES: C=C1Cc2cc(C(C)C)ccc2N1.C=C1Nc2ccc(C(C)C)cc2O1.C=C1Nc2ccc(C(C)C)cc2S1.CC(C)C1=CCN=C1.CC(C)c1ccc2[nH]ccc2c1.CC(C)c1ccc2[nH]ccc2c1Cl.CC(C)c1ccc2cn[nH]c2c1.CC(C)c1ccc2n[nH]c(Cl)c2c1.CC(C)c1ccc2nc[nH]c2c1.CC(C)c1ccc2nc[nH]c2c1.CC(C)c1cccc2[nH]ccc12.CC(C)c1cnc2[nH]ccc2c1.Cc1[nH]nc2ccc(C(C)C)cc12.Cc1[nH]nc2ccc(C(C)C)cc12.Cc1c2cc[nH]c2nc[n+]1C(C)C.Cc1cc(C(C)C)cc2cn[nH]c12.Cc1nc2ccc(C(C)C)cc2s1
• InChI: InChI=1S/C12H15N.C11H12ClN.3C11H14N2.C11H13NO.2C11H13NS.2C11H13N.C10H11ClN2.C10H13N3.4C10H12N2.C7H11N/c1-8(2)10-4-5-12-11(7-10)6-9(3)13-12;1-7(2)8-3-4-10-9(11(8)12)5-6-13-10;1-7(2)9-4-8(3)11-10(5-9)6-12-13-11;2*1-7(2)9-4-5-11-10(6-9)8(3)12-13-11;3*1-7(2)9-4-5-10-11(6-9)13-8(3)12-10;1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-8(2)9-4-3-5-11-10(9)6-7-12-11;1-6(2)7-3-4-9-8(5-7)10(11)13-12-9;1-7(2)13-6-12-10-9(8(13)3)4-5-11-10;1-7(2)9-5-8-3-4-11-10(8)12-6-9;2*1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-7(2)8-3-4-9-6-11-12-10(9)5-8;1-6(2)7-3-4-8-5-7/h4-5,7-8,13H,3,6H2,1-2H3;3-7,13H,1-2H3;3*4-7H,1-3H3,(H,12,13);4-7,12H,3H2,1-2H3;4-7H,1-3H3;4-7,12H,3H2,1-2H3;2*3-8,12H,1-2H3;3-6H,1-2H3,(H,12,13);4-7H,1-3H3;4*3-7H,1-2H3,(H,11,12);3,5-6H,4H2,1-2H3/p+1
• InChIKey: BPPPDZZYRFQGNY-UHFFFAOYSA-O
• XLogP: 50.89
• TPSA: 379.94 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 17
• Rotatable Bonds: 17
• Heavy Atoms: 210
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2886.93
LogP ≤ 5	50.89
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-propan-2-yl-2H-indazole;4-chloro-5-propan-2-yl-1H-indole;2-methylidene-6-propan-2-yl-3H-1,3-benzothiazole;2-methylidene-6-propan-2-yl-3H-1,3-benzoxazole;2-methylidene-5-propan-2-yl-1,3-dihydroindole;2-methyl-6-propan-2-yl-1,3-benzothiazole;bis(3-methyl-5-propan-2-yl-2H-indazole);7-methyl-5-propan-2-yl-1H-indazole;4-methyl-3-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidin-3-ium;bis(6-propan-2-yl-1H-benzimidazole);6-propan-2-yl-1H-indazole;4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;4-propan-2-yl-2H-pyrrole;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine?

The IUPAC name of 3-chloro-5-propan-2-yl-2H-indazole;4-chloro-5-propan-2-yl-1H-indole;2-methylidene-6-propan-2-yl-3H-1,3-benzothiazole;2-methylidene-6-propan-2-yl-3H-1,3-benzoxazole;2-methylidene-5-propan-2-yl-1,3-dihydroindole;2-methyl-6-propan-2-yl-1,3-benzothiazole;bis(3-methyl-5-propan-2-yl-2H-indazole);7-methyl-5-propan-2-yl-1H-indazole;4-methyl-3-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidin-3-ium;bis(6-propan-2-yl-1H-benzimidazole);6-propan-2-yl-1H-indazole;4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;4-propan-2-yl-2H-pyrrole;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine (CID 158257278) is 3-chloro-5-propan-2-yl-2H-indazole;4-chloro-5-propan-2-yl-1H-indole;2-methylidene-6-propan-2-yl-3H-1,3-benzothiazole;2-methylidene-6-propan-2-yl-3H-1,3-benzoxazole;2-methylidene-5-propan-2-yl-1,3-dihydroindole;2-methyl-6-propan-2-yl-1,3-benzothiazole;bis(3-methyl-5-propan-2-yl-2H-indazole);7-methyl-5-propan-2-yl-1H-indazole;4-methyl-3-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidin-3-ium;bis(6-propan-2-yl-1H-benzimidazole);6-propan-2-yl-1H-indazole;4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;4-propan-2-yl-2H-pyrrole;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine.

What is the SMILES notation for 3-chloro-5-propan-2-yl-2H-indazole;4-chloro-5-propan-2-yl-1H-indole;2-methylidene-6-propan-2-yl-3H-1,3-benzothiazole;2-methylidene-6-propan-2-yl-3H-1,3-benzoxazole;2-methylidene-5-propan-2-yl-1,3-dihydroindole;2-methyl-6-propan-2-yl-1,3-benzothiazole;bis(3-methyl-5-propan-2-yl-2H-indazole);7-methyl-5-propan-2-yl-1H-indazole;4-methyl-3-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidin-3-ium;bis(6-propan-2-yl-1H-benzimidazole);6-propan-2-yl-1H-indazole;4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;4-propan-2-yl-2H-pyrrole;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine?

The canonical SMILES for 3-chloro-5-propan-2-yl-2H-indazole;4-chloro-5-propan-2-yl-1H-indole;2-methylidene-6-propan-2-yl-3H-1,3-benzothiazole;2-methylidene-6-propan-2-yl-3H-1,3-benzoxazole;2-methylidene-5-propan-2-yl-1,3-dihydroindole;2-methyl-6-propan-2-yl-1,3-benzothiazole;bis(3-methyl-5-propan-2-yl-2H-indazole);7-methyl-5-propan-2-yl-1H-indazole;4-methyl-3-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidin-3-ium;bis(6-propan-2-yl-1H-benzimidazole);6-propan-2-yl-1H-indazole;4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;4-propan-2-yl-2H-pyrrole;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine is C=C1Cc2cc(C(C)C)ccc2N1.C=C1Nc2ccc(C(C)C)cc2O1.C=C1Nc2ccc(C(C)C)cc2S1.CC(C)C1=CCN=C1.CC(C)c1ccc2[nH]ccc2c1.CC(C)c1ccc2[nH]ccc2c1Cl.CC(C)c1ccc2cn[nH]c2c1.CC(C)c1ccc2n[nH]c(Cl)c2c1.CC(C)c1ccc2nc[nH]c2c1.CC(C)c1ccc2nc[nH]c2c1.CC(C)c1cccc2[nH]ccc12.CC(C)c1cnc2[nH]ccc2c1.Cc1[nH]nc2ccc(C(C)C)cc12.Cc1[nH]nc2ccc(C(C)C)cc12.Cc1c2cc[nH]c2nc[n+]1C(C)C.Cc1cc(C(C)C)cc2cn[nH]c12.Cc1nc2ccc(C(C)C)cc2s1.

What is the InChIKey of 3-chloro-5-propan-2-yl-2H-indazole;4-chloro-5-propan-2-yl-1H-indole;2-methylidene-6-propan-2-yl-3H-1,3-benzothiazole;2-methylidene-6-propan-2-yl-3H-1,3-benzoxazole;2-methylidene-5-propan-2-yl-1,3-dihydroindole;2-methyl-6-propan-2-yl-1,3-benzothiazole;bis(3-methyl-5-propan-2-yl-2H-indazole);7-methyl-5-propan-2-yl-1H-indazole;4-methyl-3-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidin-3-ium;bis(6-propan-2-yl-1H-benzimidazole);6-propan-2-yl-1H-indazole;4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;4-propan-2-yl-2H-pyrrole;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine?

The InChIKey is BPPPDZZYRFQGNY-UHFFFAOYSA-O. The full InChI is InChI=1S/C12H15N.C11H12ClN.3C11H14N2.C11H13NO.2C11H13NS.2C11H13N.C10H11ClN2.C10H13N3.4C10H12N2.C7H11N/c1-8(2)10-4-5-12-11(7-10)6-9(3)13-12;1-7(2)8-3-4-10-9(11(8)12)5-6-13-10;1-7(2)9-4-8(3)11-10(5-9)6-12-13-11;2*1-7(2)9-4-5-11-10(6-9)8(3)12-13-11;3*1-7(2)9-4-5-10-11(6-9)13-8(3)12-10;1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-8(2)9-4-3-5-11-10(9)6-7-12-11;1-6(2)7-3-4-9-8(5-7)10(11)13-12-9;1-7(2)13-6-12-10-9(8(13)3)4-5-11-10;1-7(2)9-5-8-3-4-11-10(8)12-6-9;2*1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-7(2)8-3-4-9-6-11-12-10(9)5-8;1-6(2)7-3-4-8-5-7/h4-5,7-8,13H,3,6H2,1-2H3;3-7,13H,1-2H3;3*4-7H,1-3H3,(H,12,13);4-7,12H,3H2,1-2H3;4-7H,1-3H3;4-7,12H,3H2,1-2H3;2*3-8,12H,1-2H3;3-6H,1-2H3,(H,12,13);4-7H,1-3H3;4*3-7H,1-2H3,(H,11,12);3,5-6H,4H2,1-2H3/p+1.

What are the key properties of 3-chloro-5-propan-2-yl-2H-indazole;4-chloro-5-propan-2-yl-1H-indole;2-methylidene-6-propan-2-yl-3H-1,3-benzothiazole;2-methylidene-6-propan-2-yl-3H-1,3-benzoxazole;2-methylidene-5-propan-2-yl-1,3-dihydroindole;2-methyl-6-propan-2-yl-1,3-benzothiazole;bis(3-methyl-5-propan-2-yl-2H-indazole);7-methyl-5-propan-2-yl-1H-indazole;4-methyl-3-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidin-3-ium;bis(6-propan-2-yl-1H-benzimidazole);6-propan-2-yl-1H-indazole;4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;4-propan-2-yl-2H-pyrrole;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine?

3-chloro-5-propan-2-yl-2H-indazole;4-chloro-5-propan-2-yl-1H-indole;2-methylidene-6-propan-2-yl-3H-1,3-benzothiazole;2-methylidene-6-propan-2-yl-3H-1,3-benzoxazole;2-methylidene-5-propan-2-yl-1,3-dihydroindole;2-methyl-6-propan-2-yl-1,3-benzothiazole;bis(3-methyl-5-propan-2-yl-2H-indazole);7-methyl-5-propan-2-yl-1H-indazole;4-methyl-3-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidin-3-ium;bis(6-propan-2-yl-1H-benzimidazole);6-propan-2-yl-1H-indazole;4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;4-propan-2-yl-2H-pyrrole;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 2886.93 g/mol, XLogP of 50.89, 17 rotatable bonds, 15 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 3-chloro-5-propan-2-yl-2H-indazole;4-chloro-5-propan-2-yl-1H-indole;2-methylidene-6-propan-2-yl-3H-1,3-benzothiazole;2-methylidene-6-propan-2-yl-3H-1,3-benzoxazole;2-methylidene-5-propan-2-yl-1,3-dihydroindole;2-methyl-6-propan-2-yl-1,3-benzothiazole;bis(3-methyl-5-propan-2-yl-2H-indazole);7-methyl-5-propan-2-yl-1H-indazole;4-methyl-3-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidin-3-ium;bis(6-propan-2-yl-1H-benzimidazole);6-propan-2-yl-1H-indazole;4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;4-propan-2-yl-2H-pyrrole;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 158257278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).