6-tert-butyl-1,3a-dihydropyrazolo[1,5-a]pyridine;2-tert-butyl-1-benzofuran;6-tert-butyl-1-benzofuran;1-tert-butyl-2-fluorobenzene;6-tert-butyl-1H-indazole;2-tert-butylindolizine;2-tert-butyl-3-methyl-1-benzofuran;2-tert-butyl-1-methylindolizine;2-tert-butyl-3-methylpyrazolo[1,5-a]pyridine;3-tert-butylphenol;2-tert-butylpyrazolo[1,5-a]pyridine

C127H163FN10O4 — CID 157054094

IUPAC6-tert-butyl-1,3a-dihydropyrazolo[1,5-a]pyridine;2-tert-butyl-1-benzofuran;6-tert-butyl-1-benzofuran;1-tert-butyl-2-fluorobenzene;6-tert-butyl-1H-indazole;2-tert-butylindolizine;2-tert-butyl-3-methyl-1-benzofuran;2-tert-butyl-1-methylindolizine;2-tert-butyl-3-methylpyrazolo[1,5-a]pyridine;3-tert-butylphenol;2-tert-butylpyrazolo[1,5-a]pyridine
SMILESCC(C)(C)C1=CN2NC=CC2C=C1.CC(C)(C)c1cc2ccccc2o1.CC(C)(C)c1cc2ccccn2c1.CC(C)(C)c1cc2ccccn2n1.CC(C)(C)c1ccc2ccoc2c1.CC(C)(C)c1ccc2cn[nH]c2c1.CC(C)(C)c1cccc(O)c1.CC(C)(C)c1ccccc1F.Cc1c(C(C)(C)C)cn2ccccc12.Cc1c(C(C)(C)C)nn2ccccc12.Cc1c(C(C)(C)C)oc2ccccc12
InChIInChI=1S/C13H17N.C13H16O.C12H16N2.C12H15N.2C12H14O.C11H14N2.C11H16N2.C11H14N2.C10H13F.C10H14O/c1-10-11(13(2,3)4)9-14-8-6-5-7-12(10)14;1-9-10-7-5-6-8-11(10)14-12(9)13(2,3)4;1-9-10-7-5-6-8-14(10)13-11(9)12(2,3)4;1-12(2,3)10-8-11-6-4-5-7-13(11)9-10;1-12(2,3)10-5-4-9-6-7-13-11(9)8-10;1-12(2,3)11-8-9-6-4-5-7-10(9)13-11;1-11(2,3)9-5-4-8-7-12-13-10(8)6-9;1-11(2,3)9-4-5-10-6-7-12-13(10)8-9;1-11(2,3)10-8-9-6-4-5-7-13(9)12-10;1-10(2,3)8-6-4-5-7-9(8)11;1-10(2,3)8-5-4-6-9(11)7-8/h5-9H,1-4H3;2*5-8H,1-4H3;4-9H,1-3H3;2*4-8H,1-3H3;4-7H,1-3H3,(H,12,13);4-8,10,12H,1-3H3;4-8H,1-3H3;4-7H,1-3H3;4-7,11H,1-3H3
InChIKeyAANURLSCUUJFNH-UHFFFAOYSA-N
MW1912.76 g/mol
LogP34.72
Rot. Bonds

About 6-tert-butyl-1,3a-dihydropyrazolo[1,5-a]pyridine;2-tert-butyl-1-benzofuran;6-tert-butyl-1-benzofuran;1-tert-butyl-2-fluorobenzene;6-tert-butyl-1H-indazole;2-tert-butylindolizine;2-tert-butyl-3-methyl-1-benzofuran;2-tert-butyl-1-methylindolizine;2-tert-butyl-3-methylpyrazolo[1,5-a]pyridine;3-tert-butylphenol;2-tert-butylpyrazolo[1,5-a]pyridine

6-tert-butyl-1,3a-dihydropyrazolo[1,5-a]pyridine;2-tert-butyl-1-benzofuran;6-tert-butyl-1-benzofuran;1-tert-butyl-2-fluorobenzene;6-tert-butyl-1H-indazole;2-tert-butylindolizine;2-tert-butyl-3-methyl-1-benzofuran;2-tert-butyl-1-methylindolizine;2-tert-butyl-3-methylpyrazolo[1,5-a]pyridine;3-tert-butylphenol;2-tert-butylpyrazolo[1,5-a]pyridine (PubChem CID 157054094) has the molecular formula C127H163FN10O4 and a molecular weight of 1912.76 g/mol. Its IUPAC name is 6-tert-butyl-1,3a-dihydropyrazolo[1,5-a]pyridine;2-tert-butyl-1-benzofuran;6-tert-butyl-1-benzofuran;1-tert-butyl-2-fluorobenzene;6-tert-butyl-1H-indazole;2-tert-butylindolizine;2-tert-butyl-3-methyl-1-benzofuran;2-tert-butyl-1-methylindolizine;2-tert-butyl-3-methylpyrazolo[1,5-a]pyridine;3-tert-butylphenol;2-tert-butylpyrazolo[1,5-a]pyridine.

Molecular Properties

Compound Name6-tert-butyl-1,3a-dihydropyrazolo[1,5-a]pyridine;2-tert-butyl-1-benzofuran;6-tert-butyl-1-benzofuran;1-tert-butyl-2-fluorobenzene;6-tert-butyl-1H-indazole;2-tert-butylindolizine;2-tert-butyl-3-methyl-1-benzofuran;2-tert-butyl-1-methylindolizine;2-tert-butyl-3-methylpyrazolo[1,5-a]pyridine;3-tert-butylphenol;2-tert-butylpyrazolo[1,5-a]pyridine
PubChem CID157054094
Molecular FormulaC127H163FN10O4
Molecular Weight1912.76 g/mol
Exact Mass1911.28
IUPAC Name6-tert-butyl-1,3a-dihydropyrazolo[1,5-a]pyridine;2-tert-butyl-1-benzofuran;6-tert-butyl-1-benzofuran;1-tert-butyl-2-fluorobenzene;6-tert-butyl-1H-indazole;2-tert-butylindolizine;2-tert-butyl-3-methyl-1-benzofuran;2-tert-butyl-1-methylindolizine;2-tert-butyl-3-methylpyrazolo[1,5-a]pyridine;3-tert-butylphenol;2-tert-butylpyrazolo[1,5-a]pyridine
SMILESCC(C)(C)C1=CN2NC=CC2C=C1.CC(C)(C)c1cc2ccccc2o1.CC(C)(C)c1cc2ccccn2c1.CC(C)(C)c1cc2ccccn2n1.CC(C)(C)c1ccc2ccoc2c1.CC(C)(C)c1ccc2cn[nH]c2c1.CC(C)(C)c1cccc(O)c1.CC(C)(C)c1ccccc1F.Cc1c(C(C)(C)C)cn2ccccc12.Cc1c(C(C)(C)C)nn2ccccc12.Cc1c(C(C)(C)C)oc2ccccc12
InChIInChI=1S/C13H17N.C13H16O.C12H16N2.C12H15N.2C12H14O.C11H14N2.C11H16N2.C11H14N2.C10H13F.C10H14O/c1-10-11(13(2,3)4)9-14-8-6-5-7-12(10)14;1-9-10-7-5-6-8-11(10)14-12(9)13(2,3)4;1-9-10-7-5-6-8-14(10)13-11(9)12(2,3)4;1-12(2,3)10-8-11-6-4-5-7-13(11)9-10;1-12(2,3)10-5-4-9-6-7-13-11(9)8-10;1-12(2,3)11-8-9-6-4-5-7-10(9)13-11;1-11(2,3)9-5-4-8-7-12-13-10(8)6-9;1-11(2,3)9-4-5-10-6-7-12-13(10)8-9;1-11(2,3)10-8-9-6-4-5-7-13(9)12-10;1-10(2,3)8-6-4-5-7-9(8)11;1-10(2,3)8-5-4-6-9(11)7-8/h5-9H,1-4H3;2*5-8H,1-4H3;4-9H,1-3H3;2*4-8H,1-3H3;4-7H,1-3H3,(H,12,13);4-8,10,12H,1-3H3;4-8H,1-3H3;4-7H,1-3H3;4-7,11H,1-3H3
InChIKeyAANURLSCUUJFNH-UHFFFAOYSA-N
XLogP34.72
TPSA147.02 Ų
H-Bond Donors3
H-Bond Acceptors13
Rotatable Bonds
Heavy Atoms142
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001912.76
LogP ≤ 534.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1013

Analyze 6-tert-butyl-1,3a-dihydropyrazolo[1,5-a]pyridine;2-tert-butyl-1-benzofuran;6-tert-butyl-1-benzofuran;1-tert-butyl-2-fluorobenzene;6-tert-butyl-1H-indazole;2-tert-butylindolizine;2-tert-butyl-3-methyl-1-benzofuran;2-tert-butyl-1-methylindolizine;2-tert-butyl-3-methylpyrazolo[1,5-a]pyridine;3-tert-butylphenol;2-tert-butylpyrazolo[1,5-a]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-1,3a-dihydropyrazolo[1,5-a]pyridine;2-tert-butyl-1-benzofuran;6-tert-butyl-1-benzofuran;1-tert-butyl-2-fluorobenzene;6-tert-butyl-1H-indazole;2-tert-butylindolizine;2-tert-butyl-3-methyl-1-benzofuran;2-tert-butyl-1-methylindolizine;2-tert-butyl-3-methylpyrazolo[1,5-a]pyridine;3-tert-butylphenol;2-tert-butylpyrazolo[1,5-a]pyridine?
The IUPAC name of 6-tert-butyl-1,3a-dihydropyrazolo[1,5-a]pyridine;2-tert-butyl-1-benzofuran;6-tert-butyl-1-benzofuran;1-tert-butyl-2-fluorobenzene;6-tert-butyl-1H-indazole;2-tert-butylindolizine;2-tert-butyl-3-methyl-1-benzofuran;2-tert-butyl-1-methylindolizine;2-tert-butyl-3-methylpyrazolo[1,5-a]pyridine;3-tert-butylphenol;2-tert-butylpyrazolo[1,5-a]pyridine (CID 157054094) is 6-tert-butyl-1,3a-dihydropyrazolo[1,5-a]pyridine;2-tert-butyl-1-benzofuran;6-tert-butyl-1-benzofuran;1-tert-butyl-2-fluorobenzene;6-tert-butyl-1H-indazole;2-tert-butylindolizine;2-tert-butyl-3-methyl-1-benzofuran;2-tert-butyl-1-methylindolizine;2-tert-butyl-3-methylpyrazolo[1,5-a]pyridine;3-tert-butylphenol;2-tert-butylpyrazolo[1,5-a]pyridine.
What is the SMILES notation for 6-tert-butyl-1,3a-dihydropyrazolo[1,5-a]pyridine;2-tert-butyl-1-benzofuran;6-tert-butyl-1-benzofuran;1-tert-butyl-2-fluorobenzene;6-tert-butyl-1H-indazole;2-tert-butylindolizine;2-tert-butyl-3-methyl-1-benzofuran;2-tert-butyl-1-methylindolizine;2-tert-butyl-3-methylpyrazolo[1,5-a]pyridine;3-tert-butylphenol;2-tert-butylpyrazolo[1,5-a]pyridine?
The canonical SMILES for 6-tert-butyl-1,3a-dihydropyrazolo[1,5-a]pyridine;2-tert-butyl-1-benzofuran;6-tert-butyl-1-benzofuran;1-tert-butyl-2-fluorobenzene;6-tert-butyl-1H-indazole;2-tert-butylindolizine;2-tert-butyl-3-methyl-1-benzofuran;2-tert-butyl-1-methylindolizine;2-tert-butyl-3-methylpyrazolo[1,5-a]pyridine;3-tert-butylphenol;2-tert-butylpyrazolo[1,5-a]pyridine is CC(C)(C)C1=CN2NC=CC2C=C1.CC(C)(C)c1cc2ccccc2o1.CC(C)(C)c1cc2ccccn2c1.CC(C)(C)c1cc2ccccn2n1.CC(C)(C)c1ccc2ccoc2c1.CC(C)(C)c1ccc2cn[nH]c2c1.CC(C)(C)c1cccc(O)c1.CC(C)(C)c1ccccc1F.Cc1c(C(C)(C)C)cn2ccccc12.Cc1c(C(C)(C)C)nn2ccccc12.Cc1c(C(C)(C)C)oc2ccccc12.
What is the InChIKey of 6-tert-butyl-1,3a-dihydropyrazolo[1,5-a]pyridine;2-tert-butyl-1-benzofuran;6-tert-butyl-1-benzofuran;1-tert-butyl-2-fluorobenzene;6-tert-butyl-1H-indazole;2-tert-butylindolizine;2-tert-butyl-3-methyl-1-benzofuran;2-tert-butyl-1-methylindolizine;2-tert-butyl-3-methylpyrazolo[1,5-a]pyridine;3-tert-butylphenol;2-tert-butylpyrazolo[1,5-a]pyridine?
The InChIKey is AANURLSCUUJFNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N.C13H16O.C12H16N2.C12H15N.2C12H14O.C11H14N2.C11H16N2.C11H14N2.C10H13F.C10H14O/c1-10-11(13(2,3)4)9-14-8-6-5-7-12(10)14;1-9-10-7-5-6-8-11(10)14-12(9)13(2,3)4;1-9-10-7-5-6-8-14(10)13-11(9)12(2,3)4;1-12(2,3)10-8-11-6-4-5-7-13(11)9-10;1-12(2,3)10-5-4-9-6-7-13-11(9)8-10;1-12(2,3)11-8-9-6-4-5-7-10(9)13-11;1-11(2,3)9-5-4-8-7-12-13-10(8)6-9;1-11(2,3)9-4-5-10-6-7-12-13(10)8-9;1-11(2,3)10-8-9-6-4-5-7-13(9)12-10;1-10(2,3)8-6-4-5-7-9(8)11;1-10(2,3)8-5-4-6-9(11)7-8/h5-9H,1-4H3;2*5-8H,1-4H3;4-9H,1-3H3;2*4-8H,1-3H3;4-7H,1-3H3,(H,12,13);4-8,10,12H,1-3H3;4-8H,1-3H3;4-7H,1-3H3;4-7,11H,1-3H3.
What are the key properties of 6-tert-butyl-1,3a-dihydropyrazolo[1,5-a]pyridine;2-tert-butyl-1-benzofuran;6-tert-butyl-1-benzofuran;1-tert-butyl-2-fluorobenzene;6-tert-butyl-1H-indazole;2-tert-butylindolizine;2-tert-butyl-3-methyl-1-benzofuran;2-tert-butyl-1-methylindolizine;2-tert-butyl-3-methylpyrazolo[1,5-a]pyridine;3-tert-butylphenol;2-tert-butylpyrazolo[1,5-a]pyridine?
6-tert-butyl-1,3a-dihydropyrazolo[1,5-a]pyridine;2-tert-butyl-1-benzofuran;6-tert-butyl-1-benzofuran;1-tert-butyl-2-fluorobenzene;6-tert-butyl-1H-indazole;2-tert-butylindolizine;2-tert-butyl-3-methyl-1-benzofuran;2-tert-butyl-1-methylindolizine;2-tert-butyl-3-methylpyrazolo[1,5-a]pyridine;3-tert-butylphenol;2-tert-butylpyrazolo[1,5-a]pyridine has a molecular weight of 1912.76 g/mol, XLogP of 34.72, 0 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-1,3a-dihydropyrazolo[1,5-a]pyridine;2-tert-butyl-1-benzofuran;6-tert-butyl-1-benzofuran;1-tert-butyl-2-fluorobenzene;6-tert-butyl-1H-indazole;2-tert-butylindolizine;2-tert-butyl-3-methyl-1-benzofuran;2-tert-butyl-1-methylindolizine;2-tert-butyl-3-methylpyrazolo[1,5-a]pyridine;3-tert-butylphenol;2-tert-butylpyrazolo[1,5-a]pyridine is sourced from PubChem (CID 157054094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).