cumene;ethane;methane;1-methyl-4-propan-2-ylimidazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;3-propan-2-ylfuran;5-propan-2-yl-1H-imidazole;2-propan-2-yloxolane;3-propan-2-yloxolane;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine

C120H231N15O3 — CID 157289046

IUPACcumene;ethane;methane;1-methyl-4-propan-2-ylimidazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;3-propan-2-ylfuran;5-propan-2-yl-1H-imidazole;2-propan-2-yloxolane;3-propan-2-yloxolane;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine
SMILESC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)C1CCCO1.CC(C)C1CCOC1.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccn[nH]1.CC(C)c1ccncc1.CC(C)c1ccnn1C.CC(C)c1ccoc1.CC(C)c1cn(C)cn1.CC(C)c1cn[nH]c1.CC(C)c1cnc[nH]1.CC(C)c1cnn(C)c1
InChIInChI=1S/C9H12.3C8H11N.3C7H12N2.C7H14O.C7H10O.C7H14O.3C6H10N2.13C2H6.CH4/c1-8(2)9-6-4-3-5-7-9;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-6(2)7-4-9(3)5-8-7;1-6(2)7-4-8-9(3)5-7;1-6(2)7-4-5-8-9(7)3;2*1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7;1-5(2)6-3-7-4-8-6;1-5(2)6-3-7-8-4-6;1-5(2)6-3-4-7-8-6;13*1-2;/h3-8H,1-2H3;3*3-7H,1-2H3;3*4-6H,1-3H3;6-7H,3-5H2,1-2H3;3-6H,1-2H3;6-7H,3-5H2,1-2H3;3*3-5H,1-2H3,(H,7,8);13*1-2H3;1H4
InChIKeyBAOTYUKSZHQEAZ-UHFFFAOYSA-N
MW1932.27 g/mol
LogP38.53
Rot. Bonds13

About cumene;ethane;methane;1-methyl-4-propan-2-ylimidazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;3-propan-2-ylfuran;5-propan-2-yl-1H-imidazole;2-propan-2-yloxolane;3-propan-2-yloxolane;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine

cumene;ethane;methane;1-methyl-4-propan-2-ylimidazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;3-propan-2-ylfuran;5-propan-2-yl-1H-imidazole;2-propan-2-yloxolane;3-propan-2-yloxolane;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine (PubChem CID 157289046) has the molecular formula C120H231N15O3 and a molecular weight of 1932.27 g/mol. Its IUPAC name is cumene;ethane;methane;1-methyl-4-propan-2-ylimidazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;3-propan-2-ylfuran;5-propan-2-yl-1H-imidazole;2-propan-2-yloxolane;3-propan-2-yloxolane;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine.

Molecular Properties

Compound Namecumene;ethane;methane;1-methyl-4-propan-2-ylimidazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;3-propan-2-ylfuran;5-propan-2-yl-1H-imidazole;2-propan-2-yloxolane;3-propan-2-yloxolane;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine
PubChem CID157289046
Molecular FormulaC120H231N15O3
Molecular Weight1932.27 g/mol
Exact Mass1930.84
IUPAC Namecumene;ethane;methane;1-methyl-4-propan-2-ylimidazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;3-propan-2-ylfuran;5-propan-2-yl-1H-imidazole;2-propan-2-yloxolane;3-propan-2-yloxolane;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine
SMILESC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)C1CCCO1.CC(C)C1CCOC1.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccn[nH]1.CC(C)c1ccncc1.CC(C)c1ccnn1C.CC(C)c1ccoc1.CC(C)c1cn(C)cn1.CC(C)c1cn[nH]c1.CC(C)c1cnc[nH]1.CC(C)c1cnn(C)c1
InChIInChI=1S/C9H12.3C8H11N.3C7H12N2.C7H14O.C7H10O.C7H14O.3C6H10N2.13C2H6.CH4/c1-8(2)9-6-4-3-5-7-9;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-6(2)7-4-9(3)5-8-7;1-6(2)7-4-8-9(3)5-7;1-6(2)7-4-5-8-9(7)3;2*1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7;1-5(2)6-3-7-4-8-6;1-5(2)6-3-7-8-4-6;1-5(2)6-3-4-7-8-6;13*1-2;/h3-8H,1-2H3;3*3-7H,1-2H3;3*4-6H,1-3H3;6-7H,3-5H2,1-2H3;3-6H,1-2H3;6-7H,3-5H2,1-2H3;3*3-5H,1-2H3,(H,7,8);13*1-2H3;1H4
InChIKeyBAOTYUKSZHQEAZ-UHFFFAOYSA-N
XLogP38.53
TPSA209.77 Ų
H-Bond Donors3
H-Bond Acceptors15
Rotatable Bonds13
Heavy Atoms138
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001932.27
LogP ≤ 538.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1015

Analyze cumene;ethane;methane;1-methyl-4-propan-2-ylimidazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;3-propan-2-ylfuran;5-propan-2-yl-1H-imidazole;2-propan-2-yloxolane;3-propan-2-yloxolane;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine with MolForge

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Launch Full Analysis

Related Compounds

5-[3-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-N-propan-2-ylpyridin-3-amine
CID 137041960
5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-N-propan-2-ylpyridin-3-amine
CID 137109855
N-[5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]pentanamide
CID 137110533
N-[5-[3-[4-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]-2-piperidin-4-ylacetamide
CID 137488832
2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]pyridin-3-yl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-7-(furan-3-yl)-3H-imidazo[4,5-c]pyridine
CID 136946607
N-[[5-[4-fluoro-3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine
CID 136947007
4-fluoro-3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine
CID 136947036
2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]pyridin-3-yl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-7-(furan-3-yl)-1H-imidazo[4,5-b]pyridine
CID 137042108
2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]pyridin-3-yl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-7-(furan-3-yl)-1H-imidazo[4,5-b]pyridine
CID 137055668
4-fluoro-3-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine
CID 137102230
N-[[5-[4-fluoro-3-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine
CID 137102234
2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]pyridin-3-yl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-7-(furan-3-yl)-3H-imidazo[4,5-c]pyridine
CID 137110340

Frequently Asked Questions

What is the IUPAC name of cumene;ethane;methane;1-methyl-4-propan-2-ylimidazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;3-propan-2-ylfuran;5-propan-2-yl-1H-imidazole;2-propan-2-yloxolane;3-propan-2-yloxolane;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine?
The IUPAC name of cumene;ethane;methane;1-methyl-4-propan-2-ylimidazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;3-propan-2-ylfuran;5-propan-2-yl-1H-imidazole;2-propan-2-yloxolane;3-propan-2-yloxolane;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine (CID 157289046) is cumene;ethane;methane;1-methyl-4-propan-2-ylimidazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;3-propan-2-ylfuran;5-propan-2-yl-1H-imidazole;2-propan-2-yloxolane;3-propan-2-yloxolane;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine.
What is the SMILES notation for cumene;ethane;methane;1-methyl-4-propan-2-ylimidazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;3-propan-2-ylfuran;5-propan-2-yl-1H-imidazole;2-propan-2-yloxolane;3-propan-2-yloxolane;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine?
The canonical SMILES for cumene;ethane;methane;1-methyl-4-propan-2-ylimidazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;3-propan-2-ylfuran;5-propan-2-yl-1H-imidazole;2-propan-2-yloxolane;3-propan-2-yloxolane;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine is C.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)C1CCCO1.CC(C)C1CCOC1.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccn[nH]1.CC(C)c1ccncc1.CC(C)c1ccnn1C.CC(C)c1ccoc1.CC(C)c1cn(C)cn1.CC(C)c1cn[nH]c1.CC(C)c1cnc[nH]1.CC(C)c1cnn(C)c1.
What is the InChIKey of cumene;ethane;methane;1-methyl-4-propan-2-ylimidazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;3-propan-2-ylfuran;5-propan-2-yl-1H-imidazole;2-propan-2-yloxolane;3-propan-2-yloxolane;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine?
The InChIKey is BAOTYUKSZHQEAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12.3C8H11N.3C7H12N2.C7H14O.C7H10O.C7H14O.3C6H10N2.13C2H6.CH4/c1-8(2)9-6-4-3-5-7-9;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-6(2)7-4-9(3)5-8-7;1-6(2)7-4-8-9(3)5-7;1-6(2)7-4-5-8-9(7)3;2*1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7;1-5(2)6-3-7-4-8-6;1-5(2)6-3-7-8-4-6;1-5(2)6-3-4-7-8-6;13*1-2;/h3-8H,1-2H3;3*3-7H,1-2H3;3*4-6H,1-3H3;6-7H,3-5H2,1-2H3;3-6H,1-2H3;6-7H,3-5H2,1-2H3;3*3-5H,1-2H3,(H,7,8);13*1-2H3;1H4.
What are the key properties of cumene;ethane;methane;1-methyl-4-propan-2-ylimidazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;3-propan-2-ylfuran;5-propan-2-yl-1H-imidazole;2-propan-2-yloxolane;3-propan-2-yloxolane;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine?
cumene;ethane;methane;1-methyl-4-propan-2-ylimidazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;3-propan-2-ylfuran;5-propan-2-yl-1H-imidazole;2-propan-2-yloxolane;3-propan-2-yloxolane;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine has a molecular weight of 1932.27 g/mol, XLogP of 38.53, 13 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for cumene;ethane;methane;1-methyl-4-propan-2-ylimidazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;3-propan-2-ylfuran;5-propan-2-yl-1H-imidazole;2-propan-2-yloxolane;3-propan-2-yloxolane;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine is sourced from PubChem (CID 157289046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).