3-propan-2-yl-1,2-benzothiazole;3-propan-2-yl-1,2-benzoxazole;4-propan-2-yl-7H-cyclopenta[c]pyridine;3-propan-2-ylimidazo[1,2-a]pyrazine;3-propan-2-ylimidazo[1,2-a]pyridine;1-propan-2-yl-2H-indazol-3-one;1-propan-2-yl-3H-indol-2-one;3-propan-2-ylpyrazolo[1,5-a]pyrimidine;3-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;3-propan-2-yl-1H-pyrrolo[3,2-c]pyridine

C100H118N18O3S — CID 161354488

IUPAC3-propan-2-yl-1,2-benzothiazole;3-propan-2-yl-1,2-benzoxazole;4-propan-2-yl-7H-cyclopenta[c]pyridine;3-propan-2-ylimidazo[1,2-a]pyrazine;3-propan-2-ylimidazo[1,2-a]pyridine;1-propan-2-yl-2H-indazol-3-one;1-propan-2-yl-3H-indol-2-one;3-propan-2-ylpyrazolo[1,5-a]pyrimidine;3-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;3-propan-2-yl-1H-pyrrolo[3,2-c]pyridine
SMILESCC(C)N1C(=O)Cc2ccccc21.CC(C)c1c[nH]c2ccncc12.CC(C)c1c[nH]c2cnccc12.CC(C)c1cnc2ccccn12.CC(C)c1cnc2cnccn12.CC(C)c1cncc2c1C=CC2.CC(C)c1cnn2cccnc12.CC(C)c1noc2ccccc12.CC(C)c1nsc2ccccc12.CC(C)n1[nH]c(=O)c2ccccc21
InChIInChI=1S/C11H13NO.C11H13N.C10H12N2O.3C10H12N2.C10H11NO.C10H11NS.2C9H11N3/c1-8(2)12-10-6-4-3-5-9(10)7-11(12)13;1-8(2)11-7-12-6-9-4-3-5-10(9)11;1-7(2)12-9-6-4-3-5-8(9)10(13)11-12;1-7(2)8-6-12-10-3-4-11-5-9(8)10;1-7(2)9-5-12-10-6-11-4-3-8(9)10;1-8(2)9-7-11-10-5-3-4-6-12(9)10;2*1-7(2)10-8-5-3-4-6-9(8)12-11-10;1-7(2)8-5-11-9-6-10-3-4-12(8)9;1-7(2)8-6-11-12-5-3-4-10-9(8)12/h3-6,8H,7H2,1-2H3;3,5-8H,4H2,1-2H3;3-7H,1-2H3,(H,11,13);2*3-7,12H,1-2H3;3-8H,1-2H3;4*3-7H,1-2H3
InChIKeyVOIXSJGMSYRLJA-UHFFFAOYSA-N
MW1652.23 g/mol
LogP24.58
Rot. Bonds10

About 3-propan-2-yl-1,2-benzothiazole;3-propan-2-yl-1,2-benzoxazole;4-propan-2-yl-7H-cyclopenta[c]pyridine;3-propan-2-ylimidazo[1,2-a]pyrazine;3-propan-2-ylimidazo[1,2-a]pyridine;1-propan-2-yl-2H-indazol-3-one;1-propan-2-yl-3H-indol-2-one;3-propan-2-ylpyrazolo[1,5-a]pyrimidine;3-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;3-propan-2-yl-1H-pyrrolo[3,2-c]pyridine

3-propan-2-yl-1,2-benzothiazole;3-propan-2-yl-1,2-benzoxazole;4-propan-2-yl-7H-cyclopenta[c]pyridine;3-propan-2-ylimidazo[1,2-a]pyrazine;3-propan-2-ylimidazo[1,2-a]pyridine;1-propan-2-yl-2H-indazol-3-one;1-propan-2-yl-3H-indol-2-one;3-propan-2-ylpyrazolo[1,5-a]pyrimidine;3-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;3-propan-2-yl-1H-pyrrolo[3,2-c]pyridine (PubChem CID 161354488) has the molecular formula C100H118N18O3S and a molecular weight of 1652.23 g/mol. Its IUPAC name is 3-propan-2-yl-1,2-benzothiazole;3-propan-2-yl-1,2-benzoxazole;4-propan-2-yl-7H-cyclopenta[c]pyridine;3-propan-2-ylimidazo[1,2-a]pyrazine;3-propan-2-ylimidazo[1,2-a]pyridine;1-propan-2-yl-2H-indazol-3-one;1-propan-2-yl-3H-indol-2-one;3-propan-2-ylpyrazolo[1,5-a]pyrimidine;3-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;3-propan-2-yl-1H-pyrrolo[3,2-c]pyridine.

Molecular Properties

Compound Name3-propan-2-yl-1,2-benzothiazole;3-propan-2-yl-1,2-benzoxazole;4-propan-2-yl-7H-cyclopenta[c]pyridine;3-propan-2-ylimidazo[1,2-a]pyrazine;3-propan-2-ylimidazo[1,2-a]pyridine;1-propan-2-yl-2H-indazol-3-one;1-propan-2-yl-3H-indol-2-one;3-propan-2-ylpyrazolo[1,5-a]pyrimidine;3-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;3-propan-2-yl-1H-pyrrolo[3,2-c]pyridine
PubChem CID161354488
Molecular FormulaC100H118N18O3S
Molecular Weight1652.23 g/mol
Exact Mass1650.94
IUPAC Name3-propan-2-yl-1,2-benzothiazole;3-propan-2-yl-1,2-benzoxazole;4-propan-2-yl-7H-cyclopenta[c]pyridine;3-propan-2-ylimidazo[1,2-a]pyrazine;3-propan-2-ylimidazo[1,2-a]pyridine;1-propan-2-yl-2H-indazol-3-one;1-propan-2-yl-3H-indol-2-one;3-propan-2-ylpyrazolo[1,5-a]pyrimidine;3-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;3-propan-2-yl-1H-pyrrolo[3,2-c]pyridine
SMILESCC(C)N1C(=O)Cc2ccccc21.CC(C)c1c[nH]c2ccncc12.CC(C)c1c[nH]c2cnccc12.CC(C)c1cnc2ccccn12.CC(C)c1cnc2cnccn12.CC(C)c1cncc2c1C=CC2.CC(C)c1cnn2cccnc12.CC(C)c1noc2ccccc12.CC(C)c1nsc2ccccc12.CC(C)n1[nH]c(=O)c2ccccc21
InChIInChI=1S/C11H13NO.C11H13N.C10H12N2O.3C10H12N2.C10H11NO.C10H11NS.2C9H11N3/c1-8(2)12-10-6-4-3-5-9(10)7-11(12)13;1-8(2)11-7-12-6-9-4-3-5-10(9)11;1-7(2)12-9-6-4-3-5-8(9)10(13)11-12;1-7(2)8-6-12-10-3-4-11-5-9(8)10;1-7(2)9-5-12-10-6-11-4-3-8(9)10;1-8(2)9-7-11-10-5-3-4-6-12(9)10;2*1-7(2)10-8-5-3-4-6-9(8)12-11-10;1-7(2)8-5-11-9-6-10-3-4-12(8)9;1-7(2)8-6-11-12-5-3-4-10-9(8)12/h3-6,8H,7H2,1-2H3;3,5-8H,4H2,1-2H3;3-7H,1-2H3,(H,11,13);2*3-7,12H,1-2H3;3-8H,1-2H3;4*3-7H,1-2H3
InChIKeyVOIXSJGMSYRLJA-UHFFFAOYSA-N
XLogP24.58
TPSA244.95 Ų
H-Bond Donors3
H-Bond Acceptors18
Rotatable Bonds10
Heavy Atoms122
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001652.23
LogP ≤ 524.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1018

Analyze 3-propan-2-yl-1,2-benzothiazole;3-propan-2-yl-1,2-benzoxazole;4-propan-2-yl-7H-cyclopenta[c]pyridine;3-propan-2-ylimidazo[1,2-a]pyrazine;3-propan-2-ylimidazo[1,2-a]pyridine;1-propan-2-yl-2H-indazol-3-one;1-propan-2-yl-3H-indol-2-one;3-propan-2-ylpyrazolo[1,5-a]pyrimidine;3-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;3-propan-2-yl-1H-pyrrolo[3,2-c]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-1,2-benzothiazole;3-propan-2-yl-1,2-benzoxazole;4-propan-2-yl-7H-cyclopenta[c]pyridine;3-propan-2-ylimidazo[1,2-a]pyrazine;3-propan-2-ylimidazo[1,2-a]pyridine;1-propan-2-yl-2H-indazol-3-one;1-propan-2-yl-3H-indol-2-one;3-propan-2-ylpyrazolo[1,5-a]pyrimidine;3-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;3-propan-2-yl-1H-pyrrolo[3,2-c]pyridine?
The IUPAC name of 3-propan-2-yl-1,2-benzothiazole;3-propan-2-yl-1,2-benzoxazole;4-propan-2-yl-7H-cyclopenta[c]pyridine;3-propan-2-ylimidazo[1,2-a]pyrazine;3-propan-2-ylimidazo[1,2-a]pyridine;1-propan-2-yl-2H-indazol-3-one;1-propan-2-yl-3H-indol-2-one;3-propan-2-ylpyrazolo[1,5-a]pyrimidine;3-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;3-propan-2-yl-1H-pyrrolo[3,2-c]pyridine (CID 161354488) is 3-propan-2-yl-1,2-benzothiazole;3-propan-2-yl-1,2-benzoxazole;4-propan-2-yl-7H-cyclopenta[c]pyridine;3-propan-2-ylimidazo[1,2-a]pyrazine;3-propan-2-ylimidazo[1,2-a]pyridine;1-propan-2-yl-2H-indazol-3-one;1-propan-2-yl-3H-indol-2-one;3-propan-2-ylpyrazolo[1,5-a]pyrimidine;3-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;3-propan-2-yl-1H-pyrrolo[3,2-c]pyridine.
What is the SMILES notation for 3-propan-2-yl-1,2-benzothiazole;3-propan-2-yl-1,2-benzoxazole;4-propan-2-yl-7H-cyclopenta[c]pyridine;3-propan-2-ylimidazo[1,2-a]pyrazine;3-propan-2-ylimidazo[1,2-a]pyridine;1-propan-2-yl-2H-indazol-3-one;1-propan-2-yl-3H-indol-2-one;3-propan-2-ylpyrazolo[1,5-a]pyrimidine;3-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;3-propan-2-yl-1H-pyrrolo[3,2-c]pyridine?
The canonical SMILES for 3-propan-2-yl-1,2-benzothiazole;3-propan-2-yl-1,2-benzoxazole;4-propan-2-yl-7H-cyclopenta[c]pyridine;3-propan-2-ylimidazo[1,2-a]pyrazine;3-propan-2-ylimidazo[1,2-a]pyridine;1-propan-2-yl-2H-indazol-3-one;1-propan-2-yl-3H-indol-2-one;3-propan-2-ylpyrazolo[1,5-a]pyrimidine;3-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;3-propan-2-yl-1H-pyrrolo[3,2-c]pyridine is CC(C)N1C(=O)Cc2ccccc21.CC(C)c1c[nH]c2ccncc12.CC(C)c1c[nH]c2cnccc12.CC(C)c1cnc2ccccn12.CC(C)c1cnc2cnccn12.CC(C)c1cncc2c1C=CC2.CC(C)c1cnn2cccnc12.CC(C)c1noc2ccccc12.CC(C)c1nsc2ccccc12.CC(C)n1[nH]c(=O)c2ccccc21.
What is the InChIKey of 3-propan-2-yl-1,2-benzothiazole;3-propan-2-yl-1,2-benzoxazole;4-propan-2-yl-7H-cyclopenta[c]pyridine;3-propan-2-ylimidazo[1,2-a]pyrazine;3-propan-2-ylimidazo[1,2-a]pyridine;1-propan-2-yl-2H-indazol-3-one;1-propan-2-yl-3H-indol-2-one;3-propan-2-ylpyrazolo[1,5-a]pyrimidine;3-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;3-propan-2-yl-1H-pyrrolo[3,2-c]pyridine?
The InChIKey is VOIXSJGMSYRLJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO.C11H13N.C10H12N2O.3C10H12N2.C10H11NO.C10H11NS.2C9H11N3/c1-8(2)12-10-6-4-3-5-9(10)7-11(12)13;1-8(2)11-7-12-6-9-4-3-5-10(9)11;1-7(2)12-9-6-4-3-5-8(9)10(13)11-12;1-7(2)8-6-12-10-3-4-11-5-9(8)10;1-7(2)9-5-12-10-6-11-4-3-8(9)10;1-8(2)9-7-11-10-5-3-4-6-12(9)10;2*1-7(2)10-8-5-3-4-6-9(8)12-11-10;1-7(2)8-5-11-9-6-10-3-4-12(8)9;1-7(2)8-6-11-12-5-3-4-10-9(8)12/h3-6,8H,7H2,1-2H3;3,5-8H,4H2,1-2H3;3-7H,1-2H3,(H,11,13);2*3-7,12H,1-2H3;3-8H,1-2H3;4*3-7H,1-2H3.
What are the key properties of 3-propan-2-yl-1,2-benzothiazole;3-propan-2-yl-1,2-benzoxazole;4-propan-2-yl-7H-cyclopenta[c]pyridine;3-propan-2-ylimidazo[1,2-a]pyrazine;3-propan-2-ylimidazo[1,2-a]pyridine;1-propan-2-yl-2H-indazol-3-one;1-propan-2-yl-3H-indol-2-one;3-propan-2-ylpyrazolo[1,5-a]pyrimidine;3-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;3-propan-2-yl-1H-pyrrolo[3,2-c]pyridine?
3-propan-2-yl-1,2-benzothiazole;3-propan-2-yl-1,2-benzoxazole;4-propan-2-yl-7H-cyclopenta[c]pyridine;3-propan-2-ylimidazo[1,2-a]pyrazine;3-propan-2-ylimidazo[1,2-a]pyridine;1-propan-2-yl-2H-indazol-3-one;1-propan-2-yl-3H-indol-2-one;3-propan-2-ylpyrazolo[1,5-a]pyrimidine;3-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;3-propan-2-yl-1H-pyrrolo[3,2-c]pyridine has a molecular weight of 1652.23 g/mol, XLogP of 24.58, 10 rotatable bonds, 3 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-1,2-benzothiazole;3-propan-2-yl-1,2-benzoxazole;4-propan-2-yl-7H-cyclopenta[c]pyridine;3-propan-2-ylimidazo[1,2-a]pyrazine;3-propan-2-ylimidazo[1,2-a]pyridine;1-propan-2-yl-2H-indazol-3-one;1-propan-2-yl-3H-indol-2-one;3-propan-2-ylpyrazolo[1,5-a]pyrimidine;3-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;3-propan-2-yl-1H-pyrrolo[3,2-c]pyridine is sourced from PubChem (CID 161354488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).