5-fluoro-3-propan-2-yl-1H-indene;2-methylidene-4-propan-2-yl-1,3-dihydroindene;2-methyl-3-propan-2-yl-1H-indene;5-methyl-4-propan-2-yl-1H-indene;1-methyl-4-propan-2-ylindol-6-ol;7-propan-2-yl-3a,7a-dihydro-1H-indol-5-ol;7-propan-2-yl-2H-benzimidazol-5-ol;5-propan-2-yl-1H-imidazo[1,2-a]pyridin-7-one;5-propan-2-ylindolizin-7-ol;7-propan-2-yl-1H-pyrazolo[1,5-a]pyridin-5-one

C115H140FN9O6 — CID 158089791

IUPAC5-fluoro-3-propan-2-yl-1H-indene;2-methylidene-4-propan-2-yl-1,3-dihydroindene;2-methyl-3-propan-2-yl-1H-indene;5-methyl-4-propan-2-yl-1H-indene;1-methyl-4-propan-2-ylindol-6-ol;7-propan-2-yl-3a,7a-dihydro-1H-indol-5-ol;7-propan-2-yl-2H-benzimidazol-5-ol;5-propan-2-yl-1H-imidazo[1,2-a]pyridin-7-one;5-propan-2-ylindolizin-7-ol;7-propan-2-yl-1H-pyrazolo[1,5-a]pyridin-5-one
SMILESC=C1Cc2cccc(C(C)C)c2C1.CC(C)C1=CC(O)=CC2C=CNC12.CC(C)C1=CCc2ccc(F)cc21.CC(C)c1cc(=O)cc2[nH]ccn12.CC(C)c1cc(=O)cc2cc[nH]n12.CC(C)c1cc(O)cc2c1=NCN=2.CC(C)c1cc(O)cc2c1ccn2C.CC(C)c1cc(O)cc2cccn12.CC1=C(C(C)C)c2ccccc2C1.Cc1ccc2c(c1C(C)C)C=CC2
InChIInChI=1S/3C13H16.C12H13F.C12H15NO.C11H15NO.C11H13NO.3C10H12N2O/c1-9(2)12-6-4-5-11-7-10(3)8-13(11)12;1-9(2)13-10(3)7-8-11-5-4-6-12(11)13;1-9(2)13-10(3)8-11-6-4-5-7-12(11)13;1-8(2)11-6-4-9-3-5-10(13)7-12(9)11;1-8(2)11-6-9(14)7-12-10(11)4-5-13(12)3;1-7(2)10-6-9(13)5-8-3-4-12-11(8)10;1-8(2)11-7-10(13)6-9-4-3-5-12(9)11;1-6(2)8-3-7(13)4-9-10(8)12-5-11-9;1-7(2)9-5-8(13)6-10-11-3-4-12(9)10;1-7(2)10-6-9(13)5-8-3-4-11-12(8)10/h4-6,9H,3,7-8H2,1-2H3;4,6-9H,5H2,1-3H3;4-7,9H,8H2,1-3H3;3,5-8H,4H2,1-2H3;4-8,14H,1-3H3;3-8,11-13H,1-2H3;3-8,13H,1-2H3;3-4,6,13H,5H2,1-2H3;2*3-7,11H,1-2H3
InChIKeyDVULTKSQHUSIBE-UHFFFAOYSA-N
MW1763.44 g/mol
LogP26.38
Rot. Bonds10

About 5-fluoro-3-propan-2-yl-1H-indene;2-methylidene-4-propan-2-yl-1,3-dihydroindene;2-methyl-3-propan-2-yl-1H-indene;5-methyl-4-propan-2-yl-1H-indene;1-methyl-4-propan-2-ylindol-6-ol;7-propan-2-yl-3a,7a-dihydro-1H-indol-5-ol;7-propan-2-yl-2H-benzimidazol-5-ol;5-propan-2-yl-1H-imidazo[1,2-a]pyridin-7-one;5-propan-2-ylindolizin-7-ol;7-propan-2-yl-1H-pyrazolo[1,5-a]pyridin-5-one

5-fluoro-3-propan-2-yl-1H-indene;2-methylidene-4-propan-2-yl-1,3-dihydroindene;2-methyl-3-propan-2-yl-1H-indene;5-methyl-4-propan-2-yl-1H-indene;1-methyl-4-propan-2-ylindol-6-ol;7-propan-2-yl-3a,7a-dihydro-1H-indol-5-ol;7-propan-2-yl-2H-benzimidazol-5-ol;5-propan-2-yl-1H-imidazo[1,2-a]pyridin-7-one;5-propan-2-ylindolizin-7-ol;7-propan-2-yl-1H-pyrazolo[1,5-a]pyridin-5-one (PubChem CID 158089791) has the molecular formula C115H140FN9O6 and a molecular weight of 1763.44 g/mol. Its IUPAC name is 5-fluoro-3-propan-2-yl-1H-indene;2-methylidene-4-propan-2-yl-1,3-dihydroindene;2-methyl-3-propan-2-yl-1H-indene;5-methyl-4-propan-2-yl-1H-indene;1-methyl-4-propan-2-ylindol-6-ol;7-propan-2-yl-3a,7a-dihydro-1H-indol-5-ol;7-propan-2-yl-2H-benzimidazol-5-ol;5-propan-2-yl-1H-imidazo[1,2-a]pyridin-7-one;5-propan-2-ylindolizin-7-ol;7-propan-2-yl-1H-pyrazolo[1,5-a]pyridin-5-one.

Molecular Properties

Compound Name5-fluoro-3-propan-2-yl-1H-indene;2-methylidene-4-propan-2-yl-1,3-dihydroindene;2-methyl-3-propan-2-yl-1H-indene;5-methyl-4-propan-2-yl-1H-indene;1-methyl-4-propan-2-ylindol-6-ol;7-propan-2-yl-3a,7a-dihydro-1H-indol-5-ol;7-propan-2-yl-2H-benzimidazol-5-ol;5-propan-2-yl-1H-imidazo[1,2-a]pyridin-7-one;5-propan-2-ylindolizin-7-ol;7-propan-2-yl-1H-pyrazolo[1,5-a]pyridin-5-one
PubChem CID158089791
Molecular FormulaC115H140FN9O6
Molecular Weight1763.44 g/mol
Exact Mass1762.09
IUPAC Name5-fluoro-3-propan-2-yl-1H-indene;2-methylidene-4-propan-2-yl-1,3-dihydroindene;2-methyl-3-propan-2-yl-1H-indene;5-methyl-4-propan-2-yl-1H-indene;1-methyl-4-propan-2-ylindol-6-ol;7-propan-2-yl-3a,7a-dihydro-1H-indol-5-ol;7-propan-2-yl-2H-benzimidazol-5-ol;5-propan-2-yl-1H-imidazo[1,2-a]pyridin-7-one;5-propan-2-ylindolizin-7-ol;7-propan-2-yl-1H-pyrazolo[1,5-a]pyridin-5-one
SMILESC=C1Cc2cccc(C(C)C)c2C1.CC(C)C1=CC(O)=CC2C=CNC12.CC(C)C1=CCc2ccc(F)cc21.CC(C)c1cc(=O)cc2[nH]ccn12.CC(C)c1cc(=O)cc2cc[nH]n12.CC(C)c1cc(O)cc2c1=NCN=2.CC(C)c1cc(O)cc2c1ccn2C.CC(C)c1cc(O)cc2cccn12.CC1=C(C(C)C)c2ccccc2C1.Cc1ccc2c(c1C(C)C)C=CC2
InChIInChI=1S/3C13H16.C12H13F.C12H15NO.C11H15NO.C11H13NO.3C10H12N2O/c1-9(2)12-6-4-5-11-7-10(3)8-13(11)12;1-9(2)13-10(3)7-8-11-5-4-6-12(11)13;1-9(2)13-10(3)8-11-6-4-5-7-12(11)13;1-8(2)11-6-4-9-3-5-10(13)7-12(9)11;1-8(2)11-6-9(14)7-12-10(11)4-5-13(12)3;1-7(2)10-6-9(13)5-8-3-4-12-11(8)10;1-8(2)11-7-10(13)6-9-4-3-5-12(9)11;1-6(2)8-3-7(13)4-9-10(8)12-5-11-9;1-7(2)9-5-8(13)6-10-11-3-4-12(9)10;1-7(2)10-6-9(13)5-8-3-4-11-12(8)10/h4-6,9H,3,7-8H2,1-2H3;4,6-9H,5H2,1-3H3;4-7,9H,8H2,1-3H3;3,5-8H,4H2,1-2H3;4-8,14H,1-3H3;3-8,11-13H,1-2H3;3-8,13H,1-2H3;3-4,6,13H,5H2,1-2H3;2*3-7,11H,1-2H3
InChIKeyDVULTKSQHUSIBE-UHFFFAOYSA-N
XLogP26.38
TPSA201.55 Ų
H-Bond Donors7
H-Bond Acceptors13
Rotatable Bonds10
Heavy Atoms131
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001763.44
LogP ≤ 526.38
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze 5-fluoro-3-propan-2-yl-1H-indene;2-methylidene-4-propan-2-yl-1,3-dihydroindene;2-methyl-3-propan-2-yl-1H-indene;5-methyl-4-propan-2-yl-1H-indene;1-methyl-4-propan-2-ylindol-6-ol;7-propan-2-yl-3a,7a-dihydro-1H-indol-5-ol;7-propan-2-yl-2H-benzimidazol-5-ol;5-propan-2-yl-1H-imidazo[1,2-a]pyridin-7-one;5-propan-2-ylindolizin-7-ol;7-propan-2-yl-1H-pyrazolo[1,5-a]pyridin-5-one with MolForge

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Launch Full Analysis

Related Compounds

4-chloro-3-propan-2-yl-1H-indene;5-chloro-3-propan-2-yl-1H-indene;6-chloro-3-propan-2-yl-1H-indene;5,6-dimethyl-4-propan-2-yl-1H-indene;5-fluoro-3-propan-2-yl-1H-indene;2-methylidene-4-propan-2-yl-1,3-dihydroindene;2-methyl-3-propan-2-yl-1H-indene;4-methyl-3-propan-2-yl-1H-indene;5-methyl-4-propan-2-yl-1H-indene;3-methyl-7-propan-2-yl-3H-inden-5-ol;bis(7-propan-2-yl-2H-benzimidazol-5-ol);5-propan-2-yl-1H-imidazo[1,2-a]pyridin-7-one;5-propan-2-ylindolizin-7-ol;8-propan-2-ylindolizin-6-ol;7-propan-2-yl-1H-indol-5-ol;7-propan-2-yl-1H-pyrazolo[1,5-a]pyridin-5-one
CID 160924608

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-propan-2-yl-1H-indene;2-methylidene-4-propan-2-yl-1,3-dihydroindene;2-methyl-3-propan-2-yl-1H-indene;5-methyl-4-propan-2-yl-1H-indene;1-methyl-4-propan-2-ylindol-6-ol;7-propan-2-yl-3a,7a-dihydro-1H-indol-5-ol;7-propan-2-yl-2H-benzimidazol-5-ol;5-propan-2-yl-1H-imidazo[1,2-a]pyridin-7-one;5-propan-2-ylindolizin-7-ol;7-propan-2-yl-1H-pyrazolo[1,5-a]pyridin-5-one?
The IUPAC name of 5-fluoro-3-propan-2-yl-1H-indene;2-methylidene-4-propan-2-yl-1,3-dihydroindene;2-methyl-3-propan-2-yl-1H-indene;5-methyl-4-propan-2-yl-1H-indene;1-methyl-4-propan-2-ylindol-6-ol;7-propan-2-yl-3a,7a-dihydro-1H-indol-5-ol;7-propan-2-yl-2H-benzimidazol-5-ol;5-propan-2-yl-1H-imidazo[1,2-a]pyridin-7-one;5-propan-2-ylindolizin-7-ol;7-propan-2-yl-1H-pyrazolo[1,5-a]pyridin-5-one (CID 158089791) is 5-fluoro-3-propan-2-yl-1H-indene;2-methylidene-4-propan-2-yl-1,3-dihydroindene;2-methyl-3-propan-2-yl-1H-indene;5-methyl-4-propan-2-yl-1H-indene;1-methyl-4-propan-2-ylindol-6-ol;7-propan-2-yl-3a,7a-dihydro-1H-indol-5-ol;7-propan-2-yl-2H-benzimidazol-5-ol;5-propan-2-yl-1H-imidazo[1,2-a]pyridin-7-one;5-propan-2-ylindolizin-7-ol;7-propan-2-yl-1H-pyrazolo[1,5-a]pyridin-5-one.
What is the SMILES notation for 5-fluoro-3-propan-2-yl-1H-indene;2-methylidene-4-propan-2-yl-1,3-dihydroindene;2-methyl-3-propan-2-yl-1H-indene;5-methyl-4-propan-2-yl-1H-indene;1-methyl-4-propan-2-ylindol-6-ol;7-propan-2-yl-3a,7a-dihydro-1H-indol-5-ol;7-propan-2-yl-2H-benzimidazol-5-ol;5-propan-2-yl-1H-imidazo[1,2-a]pyridin-7-one;5-propan-2-ylindolizin-7-ol;7-propan-2-yl-1H-pyrazolo[1,5-a]pyridin-5-one?
The canonical SMILES for 5-fluoro-3-propan-2-yl-1H-indene;2-methylidene-4-propan-2-yl-1,3-dihydroindene;2-methyl-3-propan-2-yl-1H-indene;5-methyl-4-propan-2-yl-1H-indene;1-methyl-4-propan-2-ylindol-6-ol;7-propan-2-yl-3a,7a-dihydro-1H-indol-5-ol;7-propan-2-yl-2H-benzimidazol-5-ol;5-propan-2-yl-1H-imidazo[1,2-a]pyridin-7-one;5-propan-2-ylindolizin-7-ol;7-propan-2-yl-1H-pyrazolo[1,5-a]pyridin-5-one is C=C1Cc2cccc(C(C)C)c2C1.CC(C)C1=CC(O)=CC2C=CNC12.CC(C)C1=CCc2ccc(F)cc21.CC(C)c1cc(=O)cc2[nH]ccn12.CC(C)c1cc(=O)cc2cc[nH]n12.CC(C)c1cc(O)cc2c1=NCN=2.CC(C)c1cc(O)cc2c1ccn2C.CC(C)c1cc(O)cc2cccn12.CC1=C(C(C)C)c2ccccc2C1.Cc1ccc2c(c1C(C)C)C=CC2.
What is the InChIKey of 5-fluoro-3-propan-2-yl-1H-indene;2-methylidene-4-propan-2-yl-1,3-dihydroindene;2-methyl-3-propan-2-yl-1H-indene;5-methyl-4-propan-2-yl-1H-indene;1-methyl-4-propan-2-ylindol-6-ol;7-propan-2-yl-3a,7a-dihydro-1H-indol-5-ol;7-propan-2-yl-2H-benzimidazol-5-ol;5-propan-2-yl-1H-imidazo[1,2-a]pyridin-7-one;5-propan-2-ylindolizin-7-ol;7-propan-2-yl-1H-pyrazolo[1,5-a]pyridin-5-one?
The InChIKey is DVULTKSQHUSIBE-UHFFFAOYSA-N. The full InChI is InChI=1S/3C13H16.C12H13F.C12H15NO.C11H15NO.C11H13NO.3C10H12N2O/c1-9(2)12-6-4-5-11-7-10(3)8-13(11)12;1-9(2)13-10(3)7-8-11-5-4-6-12(11)13;1-9(2)13-10(3)8-11-6-4-5-7-12(11)13;1-8(2)11-6-4-9-3-5-10(13)7-12(9)11;1-8(2)11-6-9(14)7-12-10(11)4-5-13(12)3;1-7(2)10-6-9(13)5-8-3-4-12-11(8)10;1-8(2)11-7-10(13)6-9-4-3-5-12(9)11;1-6(2)8-3-7(13)4-9-10(8)12-5-11-9;1-7(2)9-5-8(13)6-10-11-3-4-12(9)10;1-7(2)10-6-9(13)5-8-3-4-11-12(8)10/h4-6,9H,3,7-8H2,1-2H3;4,6-9H,5H2,1-3H3;4-7,9H,8H2,1-3H3;3,5-8H,4H2,1-2H3;4-8,14H,1-3H3;3-8,11-13H,1-2H3;3-8,13H,1-2H3;3-4,6,13H,5H2,1-2H3;2*3-7,11H,1-2H3.
What are the key properties of 5-fluoro-3-propan-2-yl-1H-indene;2-methylidene-4-propan-2-yl-1,3-dihydroindene;2-methyl-3-propan-2-yl-1H-indene;5-methyl-4-propan-2-yl-1H-indene;1-methyl-4-propan-2-ylindol-6-ol;7-propan-2-yl-3a,7a-dihydro-1H-indol-5-ol;7-propan-2-yl-2H-benzimidazol-5-ol;5-propan-2-yl-1H-imidazo[1,2-a]pyridin-7-one;5-propan-2-ylindolizin-7-ol;7-propan-2-yl-1H-pyrazolo[1,5-a]pyridin-5-one?
5-fluoro-3-propan-2-yl-1H-indene;2-methylidene-4-propan-2-yl-1,3-dihydroindene;2-methyl-3-propan-2-yl-1H-indene;5-methyl-4-propan-2-yl-1H-indene;1-methyl-4-propan-2-ylindol-6-ol;7-propan-2-yl-3a,7a-dihydro-1H-indol-5-ol;7-propan-2-yl-2H-benzimidazol-5-ol;5-propan-2-yl-1H-imidazo[1,2-a]pyridin-7-one;5-propan-2-ylindolizin-7-ol;7-propan-2-yl-1H-pyrazolo[1,5-a]pyridin-5-one has a molecular weight of 1763.44 g/mol, XLogP of 26.38, 10 rotatable bonds, 7 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-propan-2-yl-1H-indene;2-methylidene-4-propan-2-yl-1,3-dihydroindene;2-methyl-3-propan-2-yl-1H-indene;5-methyl-4-propan-2-yl-1H-indene;1-methyl-4-propan-2-ylindol-6-ol;7-propan-2-yl-3a,7a-dihydro-1H-indol-5-ol;7-propan-2-yl-2H-benzimidazol-5-ol;5-propan-2-yl-1H-imidazo[1,2-a]pyridin-7-one;5-propan-2-ylindolizin-7-ol;7-propan-2-yl-1H-pyrazolo[1,5-a]pyridin-5-one is sourced from PubChem (CID 158089791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).