4-fluoro-1-methyl-5-propan-2-ylindazole;6-fluoro-1-methyl-5-propan-2-ylindazole;7-fluoro-1-methyl-5-propan-2-ylindazole;4-fluoro-1-methyl-5-propan-2-ylindole;6-fluoro-1-methyl-5-propan-2-ylindole;7-fluoro-1-methyl-5-propan-2-ylindole;1-isocyano-4-propan-2-ylbenzene;2-methyl-5-propan-2-yl-1,3-benzothiazole;4-methyl-6-propan-2-yl-2,3-dihydro-1,4-benzoxazine;4-methyl-7-propan-2-yl-2,3-dihydro-1,4-benzoxazine;1-methyl-5-propan-2-ylpyrazolo[3,4-b]pyridine;1-methyl-5-propan-2-ylpyrazolo[4,5-b]pyridine;1-methyl-5-propan-2-ylpyrazolo[3,4-c]pyridine;1-methyl-5-propan-2-ylpyrrolo[2,3-b]pyridine;1-methyl-5-propan-2-ylpyrrolo[2,3-c]pyridine;5-propan-2-yl-3a,7a-dihydro-1,3-benzodioxole

C176H220F6N26O4S — CID 159227492

About 4-fluoro-1-methyl-5-propan-2-ylindazole;6-fluoro-1-methyl-5-propan-2-ylindazole;7-fluoro-1-methyl-5-propan-2-ylindazole;4-fluoro-1-methyl-5-propan-2-ylindole;6-fluoro-1-methyl-5-propan-2-ylindole;7-fluoro-1-methyl-5-propan-2-ylindole;1-isocyano-4-propan-2-ylbenzene;2-methyl-5-propan-2-yl-1,3-benzothiazole;4-methyl-6-propan-2-yl-2,3-dihydro-1,4-benzoxazine;4-methyl-7-propan-2-yl-2,3-dihydro-1,4-benzoxazine;1-methyl-5-propan-2-ylpyrazolo[3,4-b]pyridine;1-methyl-5-propan-2-ylpyrazolo[4,5-b]pyridine;1-methyl-5-propan-2-ylpyrazolo[3,4-c]pyridine;1-methyl-5-propan-2-ylpyrrolo[2,3-b]pyridine;1-methyl-5-propan-2-ylpyrrolo[2,3-c]pyridine;5-propan-2-yl-3a,7a-dihydro-1,3-benzodioxole

4-fluoro-1-methyl-5-propan-2-ylindazole;6-fluoro-1-methyl-5-propan-2-ylindazole;7-fluoro-1-methyl-5-propan-2-ylindazole;4-fluoro-1-methyl-5-propan-2-ylindole;6-fluoro-1-methyl-5-propan-2-ylindole;7-fluoro-1-methyl-5-propan-2-ylindole;1-isocyano-4-propan-2-ylbenzene;2-methyl-5-propan-2-yl-1,3-benzothiazole;4-methyl-6-propan-2-yl-2,3-dihydro-1,4-benzoxazine;4-methyl-7-propan-2-yl-2,3-dihydro-1,4-benzoxazine;1-methyl-5-propan-2-ylpyrazolo[3,4-b]pyridine;1-methyl-5-propan-2-ylpyrazolo[4,5-b]pyridine;1-methyl-5-propan-2-ylpyrazolo[3,4-c]pyridine;1-methyl-5-propan-2-ylpyrrolo[2,3-b]pyridine;1-methyl-5-propan-2-ylpyrrolo[2,3-c]pyridine;5-propan-2-yl-3a,7a-dihydro-1,3-benzodioxole (PubChem CID 159227492) has the molecular formula C176H220F6N26O4S and a molecular weight of 2909.93 g/mol. Its IUPAC name is 4-fluoro-1-methyl-5-propan-2-ylindazole;6-fluoro-1-methyl-5-propan-2-ylindazole;7-fluoro-1-methyl-5-propan-2-ylindazole;4-fluoro-1-methyl-5-propan-2-ylindole;6-fluoro-1-methyl-5-propan-2-ylindole;7-fluoro-1-methyl-5-propan-2-ylindole;1-isocyano-4-propan-2-ylbenzene;2-methyl-5-propan-2-yl-1,3-benzothiazole;4-methyl-6-propan-2-yl-2,3-dihydro-1,4-benzoxazine;4-methyl-7-propan-2-yl-2,3-dihydro-1,4-benzoxazine;1-methyl-5-propan-2-ylpyrazolo[3,4-b]pyridine;1-methyl-5-propan-2-ylpyrazolo[4,5-b]pyridine;1-methyl-5-propan-2-ylpyrazolo[3,4-c]pyridine;1-methyl-5-propan-2-ylpyrrolo[2,3-b]pyridine;1-methyl-5-propan-2-ylpyrrolo[2,3-c]pyridine;5-propan-2-yl-3a,7a-dihydro-1,3-benzodioxole.

Molecular Properties

• Compound Name: 4-fluoro-1-methyl-5-propan-2-ylindazole;6-fluoro-1-methyl-5-propan-2-ylindazole;7-fluoro-1-methyl-5-propan-2-ylindazole;4-fluoro-1-methyl-5-propan-2-ylindole;6-fluoro-1-methyl-5-propan-2-ylindole;7-fluoro-1-methyl-5-propan-2-ylindole;1-isocyano-4-propan-2-ylbenzene;2-methyl-5-propan-2-yl-1,3-benzothiazole;4-methyl-6-propan-2-yl-2,3-dihydro-1,4-benzoxazine;4-methyl-7-propan-2-yl-2,3-dihydro-1,4-benzoxazine;1-methyl-5-propan-2-ylpyrazolo[3,4-b]pyridine;1-methyl-5-propan-2-ylpyrazolo[4,5-b]pyridine;1-methyl-5-propan-2-ylpyrazolo[3,4-c]pyridine;1-methyl-5-propan-2-ylpyrrolo[2,3-b]pyridine;1-methyl-5-propan-2-ylpyrrolo[2,3-c]pyridine;5-propan-2-yl-3a,7a-dihydro-1,3-benzodioxole
• PubChem CID: 159227492
• Molecular Formula: C176H220F6N26O4S
• Molecular Weight: 2909.93 g/mol
• Exact Mass: 2907.74
• IUPAC Name: 4-fluoro-1-methyl-5-propan-2-ylindazole;6-fluoro-1-methyl-5-propan-2-ylindazole;7-fluoro-1-methyl-5-propan-2-ylindazole;4-fluoro-1-methyl-5-propan-2-ylindole;6-fluoro-1-methyl-5-propan-2-ylindole;7-fluoro-1-methyl-5-propan-2-ylindole;1-isocyano-4-propan-2-ylbenzene;2-methyl-5-propan-2-yl-1,3-benzothiazole;4-methyl-6-propan-2-yl-2,3-dihydro-1,4-benzoxazine;4-methyl-7-propan-2-yl-2,3-dihydro-1,4-benzoxazine;1-methyl-5-propan-2-ylpyrazolo[3,4-b]pyridine;1-methyl-5-propan-2-ylpyrazolo[4,5-b]pyridine;1-methyl-5-propan-2-ylpyrazolo[3,4-c]pyridine;1-methyl-5-propan-2-ylpyrrolo[2,3-b]pyridine;1-methyl-5-propan-2-ylpyrrolo[2,3-c]pyridine;5-propan-2-yl-3a,7a-dihydro-1,3-benzodioxole
• SMILES: CC(C)C1=CC2OCOC2C=C1.CC(C)c1cc(F)c2c(ccn2C)c1.CC(C)c1cc(F)c2c(cnn2C)c1.CC(C)c1cc2ccn(C)c2cc1F.CC(C)c1cc2ccn(C)c2cn1.CC(C)c1cc2cnn(C)c2cc1F.CC(C)c1cc2cnn(C)c2cn1.CC(C)c1ccc2c(c1)N(C)CCO2.CC(C)c1ccc2c(c1)OCCN2C.CC(C)c1ccc2c(ccn2C)c1F.CC(C)c1ccc2c(cnn2C)c1F.CC(C)c1ccc2c(cnn2C)n1.CC(C)c1cnc2c(ccn2C)c1.CC(C)c1cnc2c(cnn2C)c1.Cc1nc2cc(C(C)C)ccc2s1.[C-]#[N+]c1ccc(C(C)C)cc1
• InChI: InChI=1S/3C12H14FN.2C12H17NO.3C11H13FN2.2C11H14N2.C11H13NS.3C10H13N3.C10H11N.C10H14O2/c1-8(2)10-6-9-4-5-14(3)12(9)7-11(10)13;1-8(2)10-6-9-4-5-14(3)12(9)11(13)7-10;1-8(2)9-4-5-11-10(12(9)13)6-7-14(11)3;1-9(2)10-4-5-12-11(8-10)13(3)6-7-14-12;1-9(2)10-4-5-11-12(8-10)14-7-6-13(11)3;1-7(2)9-4-8-6-13-14(3)11(8)5-10(9)12;1-7(2)8-4-9-6-13-14(3)11(9)10(12)5-8;1-7(2)8-4-5-10-9(11(8)12)6-13-14(10)3;1-8(2)10-6-9-4-5-13(3)11(9)7-12-10;1-8(2)10-6-9-4-5-13(3)11(9)12-7-10;1-7(2)9-4-5-11-10(6-9)12-8(3)13-11;1-7(2)9-4-8-5-12-13(3)10(8)6-11-9;1-7(2)8-4-9-6-12-13(3)10(9)11-5-8;1-7(2)8-4-5-10-9(12-8)6-11-13(10)3;1-8(2)9-4-6-10(11-3)7-5-9;1-7(2)8-3-4-9-10(5-8)12-6-11-9/h3*4-8H,1-3H3;2*4-5,8-9H,6-7H2,1-3H3;3*4-7H,1-3H3;2*4-8H,1-3H3;4*4-7H,1-3H3;4-8H,1-2H3;3-5,7,9-10H,6H2,1-2H3
• InChIKey: KSLZXRIGLOQFSQ-UHFFFAOYSA-N
• XLogP: 44.74
• TPSA: 256.67 Ų
• H-Bond Acceptors: 30
• Rotatable Bonds: 16
• Heavy Atoms: 213
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2909.93
LogP ≤ 5	44.74
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-methyl-5-propan-2-ylindazole;6-fluoro-1-methyl-5-propan-2-ylindazole;7-fluoro-1-methyl-5-propan-2-ylindazole;4-fluoro-1-methyl-5-propan-2-ylindole;6-fluoro-1-methyl-5-propan-2-ylindole;7-fluoro-1-methyl-5-propan-2-ylindole;1-isocyano-4-propan-2-ylbenzene;2-methyl-5-propan-2-yl-1,3-benzothiazole;4-methyl-6-propan-2-yl-2,3-dihydro-1,4-benzoxazine;4-methyl-7-propan-2-yl-2,3-dihydro-1,4-benzoxazine;1-methyl-5-propan-2-ylpyrazolo[3,4-b]pyridine;1-methyl-5-propan-2-ylpyrazolo[4,5-b]pyridine;1-methyl-5-propan-2-ylpyrazolo[3,4-c]pyridine;1-methyl-5-propan-2-ylpyrrolo[2,3-b]pyridine;1-methyl-5-propan-2-ylpyrrolo[2,3-c]pyridine;5-propan-2-yl-3a,7a-dihydro-1,3-benzodioxole?

The IUPAC name of 4-fluoro-1-methyl-5-propan-2-ylindazole;6-fluoro-1-methyl-5-propan-2-ylindazole;7-fluoro-1-methyl-5-propan-2-ylindazole;4-fluoro-1-methyl-5-propan-2-ylindole;6-fluoro-1-methyl-5-propan-2-ylindole;7-fluoro-1-methyl-5-propan-2-ylindole;1-isocyano-4-propan-2-ylbenzene;2-methyl-5-propan-2-yl-1,3-benzothiazole;4-methyl-6-propan-2-yl-2,3-dihydro-1,4-benzoxazine;4-methyl-7-propan-2-yl-2,3-dihydro-1,4-benzoxazine;1-methyl-5-propan-2-ylpyrazolo[3,4-b]pyridine;1-methyl-5-propan-2-ylpyrazolo[4,5-b]pyridine;1-methyl-5-propan-2-ylpyrazolo[3,4-c]pyridine;1-methyl-5-propan-2-ylpyrrolo[2,3-b]pyridine;1-methyl-5-propan-2-ylpyrrolo[2,3-c]pyridine;5-propan-2-yl-3a,7a-dihydro-1,3-benzodioxole (CID 159227492) is 4-fluoro-1-methyl-5-propan-2-ylindazole;6-fluoro-1-methyl-5-propan-2-ylindazole;7-fluoro-1-methyl-5-propan-2-ylindazole;4-fluoro-1-methyl-5-propan-2-ylindole;6-fluoro-1-methyl-5-propan-2-ylindole;7-fluoro-1-methyl-5-propan-2-ylindole;1-isocyano-4-propan-2-ylbenzene;2-methyl-5-propan-2-yl-1,3-benzothiazole;4-methyl-6-propan-2-yl-2,3-dihydro-1,4-benzoxazine;4-methyl-7-propan-2-yl-2,3-dihydro-1,4-benzoxazine;1-methyl-5-propan-2-ylpyrazolo[3,4-b]pyridine;1-methyl-5-propan-2-ylpyrazolo[4,5-b]pyridine;1-methyl-5-propan-2-ylpyrazolo[3,4-c]pyridine;1-methyl-5-propan-2-ylpyrrolo[2,3-b]pyridine;1-methyl-5-propan-2-ylpyrrolo[2,3-c]pyridine;5-propan-2-yl-3a,7a-dihydro-1,3-benzodioxole.

What is the SMILES notation for 4-fluoro-1-methyl-5-propan-2-ylindazole;6-fluoro-1-methyl-5-propan-2-ylindazole;7-fluoro-1-methyl-5-propan-2-ylindazole;4-fluoro-1-methyl-5-propan-2-ylindole;6-fluoro-1-methyl-5-propan-2-ylindole;7-fluoro-1-methyl-5-propan-2-ylindole;1-isocyano-4-propan-2-ylbenzene;2-methyl-5-propan-2-yl-1,3-benzothiazole;4-methyl-6-propan-2-yl-2,3-dihydro-1,4-benzoxazine;4-methyl-7-propan-2-yl-2,3-dihydro-1,4-benzoxazine;1-methyl-5-propan-2-ylpyrazolo[3,4-b]pyridine;1-methyl-5-propan-2-ylpyrazolo[4,5-b]pyridine;1-methyl-5-propan-2-ylpyrazolo[3,4-c]pyridine;1-methyl-5-propan-2-ylpyrrolo[2,3-b]pyridine;1-methyl-5-propan-2-ylpyrrolo[2,3-c]pyridine;5-propan-2-yl-3a,7a-dihydro-1,3-benzodioxole?

The canonical SMILES for 4-fluoro-1-methyl-5-propan-2-ylindazole;6-fluoro-1-methyl-5-propan-2-ylindazole;7-fluoro-1-methyl-5-propan-2-ylindazole;4-fluoro-1-methyl-5-propan-2-ylindole;6-fluoro-1-methyl-5-propan-2-ylindole;7-fluoro-1-methyl-5-propan-2-ylindole;1-isocyano-4-propan-2-ylbenzene;2-methyl-5-propan-2-yl-1,3-benzothiazole;4-methyl-6-propan-2-yl-2,3-dihydro-1,4-benzoxazine;4-methyl-7-propan-2-yl-2,3-dihydro-1,4-benzoxazine;1-methyl-5-propan-2-ylpyrazolo[3,4-b]pyridine;1-methyl-5-propan-2-ylpyrazolo[4,5-b]pyridine;1-methyl-5-propan-2-ylpyrazolo[3,4-c]pyridine;1-methyl-5-propan-2-ylpyrrolo[2,3-b]pyridine;1-methyl-5-propan-2-ylpyrrolo[2,3-c]pyridine;5-propan-2-yl-3a,7a-dihydro-1,3-benzodioxole is CC(C)C1=CC2OCOC2C=C1.CC(C)c1cc(F)c2c(ccn2C)c1.CC(C)c1cc(F)c2c(cnn2C)c1.CC(C)c1cc2ccn(C)c2cc1F.CC(C)c1cc2ccn(C)c2cn1.CC(C)c1cc2cnn(C)c2cc1F.CC(C)c1cc2cnn(C)c2cn1.CC(C)c1ccc2c(c1)N(C)CCO2.CC(C)c1ccc2c(c1)OCCN2C.CC(C)c1ccc2c(ccn2C)c1F.CC(C)c1ccc2c(cnn2C)c1F.CC(C)c1ccc2c(cnn2C)n1.CC(C)c1cnc2c(ccn2C)c1.CC(C)c1cnc2c(cnn2C)c1.Cc1nc2cc(C(C)C)ccc2s1.[C-]#[N+]c1ccc(C(C)C)cc1.

What is the InChIKey of 4-fluoro-1-methyl-5-propan-2-ylindazole;6-fluoro-1-methyl-5-propan-2-ylindazole;7-fluoro-1-methyl-5-propan-2-ylindazole;4-fluoro-1-methyl-5-propan-2-ylindole;6-fluoro-1-methyl-5-propan-2-ylindole;7-fluoro-1-methyl-5-propan-2-ylindole;1-isocyano-4-propan-2-ylbenzene;2-methyl-5-propan-2-yl-1,3-benzothiazole;4-methyl-6-propan-2-yl-2,3-dihydro-1,4-benzoxazine;4-methyl-7-propan-2-yl-2,3-dihydro-1,4-benzoxazine;1-methyl-5-propan-2-ylpyrazolo[3,4-b]pyridine;1-methyl-5-propan-2-ylpyrazolo[4,5-b]pyridine;1-methyl-5-propan-2-ylpyrazolo[3,4-c]pyridine;1-methyl-5-propan-2-ylpyrrolo[2,3-b]pyridine;1-methyl-5-propan-2-ylpyrrolo[2,3-c]pyridine;5-propan-2-yl-3a,7a-dihydro-1,3-benzodioxole?

The InChIKey is KSLZXRIGLOQFSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/3C12H14FN.2C12H17NO.3C11H13FN2.2C11H14N2.C11H13NS.3C10H13N3.C10H11N.C10H14O2/c1-8(2)10-6-9-4-5-14(3)12(9)7-11(10)13;1-8(2)10-6-9-4-5-14(3)12(9)11(13)7-10;1-8(2)9-4-5-11-10(12(9)13)6-7-14(11)3;1-9(2)10-4-5-12-11(8-10)13(3)6-7-14-12;1-9(2)10-4-5-11-12(8-10)14-7-6-13(11)3;1-7(2)9-4-8-6-13-14(3)11(8)5-10(9)12;1-7(2)8-4-9-6-13-14(3)11(9)10(12)5-8;1-7(2)8-4-5-10-9(11(8)12)6-13-14(10)3;1-8(2)10-6-9-4-5-13(3)11(9)7-12-10;1-8(2)10-6-9-4-5-13(3)11(9)12-7-10;1-7(2)9-4-5-11-10(6-9)12-8(3)13-11;1-7(2)9-4-8-5-12-13(3)10(8)6-11-9;1-7(2)8-4-9-6-12-13(3)10(9)11-5-8;1-7(2)8-4-5-10-9(12-8)6-11-13(10)3;1-8(2)9-4-6-10(11-3)7-5-9;1-7(2)8-3-4-9-10(5-8)12-6-11-9/h3*4-8H,1-3H3;2*4-5,8-9H,6-7H2,1-3H3;3*4-7H,1-3H3;2*4-8H,1-3H3;4*4-7H,1-3H3;4-8H,1-2H3;3-5,7,9-10H,6H2,1-2H3.

What are the key properties of 4-fluoro-1-methyl-5-propan-2-ylindazole;6-fluoro-1-methyl-5-propan-2-ylindazole;7-fluoro-1-methyl-5-propan-2-ylindazole;4-fluoro-1-methyl-5-propan-2-ylindole;6-fluoro-1-methyl-5-propan-2-ylindole;7-fluoro-1-methyl-5-propan-2-ylindole;1-isocyano-4-propan-2-ylbenzene;2-methyl-5-propan-2-yl-1,3-benzothiazole;4-methyl-6-propan-2-yl-2,3-dihydro-1,4-benzoxazine;4-methyl-7-propan-2-yl-2,3-dihydro-1,4-benzoxazine;1-methyl-5-propan-2-ylpyrazolo[3,4-b]pyridine;1-methyl-5-propan-2-ylpyrazolo[4,5-b]pyridine;1-methyl-5-propan-2-ylpyrazolo[3,4-c]pyridine;1-methyl-5-propan-2-ylpyrrolo[2,3-b]pyridine;1-methyl-5-propan-2-ylpyrrolo[2,3-c]pyridine;5-propan-2-yl-3a,7a-dihydro-1,3-benzodioxole?

4-fluoro-1-methyl-5-propan-2-ylindazole;6-fluoro-1-methyl-5-propan-2-ylindazole;7-fluoro-1-methyl-5-propan-2-ylindazole;4-fluoro-1-methyl-5-propan-2-ylindole;6-fluoro-1-methyl-5-propan-2-ylindole;7-fluoro-1-methyl-5-propan-2-ylindole;1-isocyano-4-propan-2-ylbenzene;2-methyl-5-propan-2-yl-1,3-benzothiazole;4-methyl-6-propan-2-yl-2,3-dihydro-1,4-benzoxazine;4-methyl-7-propan-2-yl-2,3-dihydro-1,4-benzoxazine;1-methyl-5-propan-2-ylpyrazolo[3,4-b]pyridine;1-methyl-5-propan-2-ylpyrazolo[4,5-b]pyridine;1-methyl-5-propan-2-ylpyrazolo[3,4-c]pyridine;1-methyl-5-propan-2-ylpyrrolo[2,3-b]pyridine;1-methyl-5-propan-2-ylpyrrolo[2,3-c]pyridine;5-propan-2-yl-3a,7a-dihydro-1,3-benzodioxole has a molecular weight of 2909.93 g/mol, XLogP of 44.74, 16 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 4-fluoro-1-methyl-5-propan-2-ylindazole;6-fluoro-1-methyl-5-propan-2-ylindazole;7-fluoro-1-methyl-5-propan-2-ylindazole;4-fluoro-1-methyl-5-propan-2-ylindole;6-fluoro-1-methyl-5-propan-2-ylindole;7-fluoro-1-methyl-5-propan-2-ylindole;1-isocyano-4-propan-2-ylbenzene;2-methyl-5-propan-2-yl-1,3-benzothiazole;4-methyl-6-propan-2-yl-2,3-dihydro-1,4-benzoxazine;4-methyl-7-propan-2-yl-2,3-dihydro-1,4-benzoxazine;1-methyl-5-propan-2-ylpyrazolo[3,4-b]pyridine;1-methyl-5-propan-2-ylpyrazolo[4,5-b]pyridine;1-methyl-5-propan-2-ylpyrazolo[3,4-c]pyridine;1-methyl-5-propan-2-ylpyrrolo[2,3-b]pyridine;1-methyl-5-propan-2-ylpyrrolo[2,3-c]pyridine;5-propan-2-yl-3a,7a-dihydro-1,3-benzodioxole is sourced from PubChem (CID 159227492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).