methane;5-propan-2-yl-1,3-benzodioxole;3-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;6-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indole

C43H56N4O2 — CID 158315586

IUPACmethane;5-propan-2-yl-1,3-benzodioxole;3-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;6-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indole
SMILESC.CC(C)c1ccc2[nH]ccc2c1.CC(C)c1ccc2c(c1)OCO2.CC(C)c1ccc2cn[nH]c2c1.CC(C)c1cnc2c(c1)CCC2
InChIInChI=1S/C11H13N.C11H15N.C10H12N2.C10H12O2.CH4/c1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-8(2)10-6-9-4-3-5-11(9)12-7-10;1-7(2)8-3-4-9-6-11-12-10(9)5-8;1-7(2)8-3-4-9-10(5-8)12-6-11-9;/h3-8,12H,1-2H3;6-8H,3-5H2,1-2H3;3-7H,1-2H3,(H,11,12);3-5,7H,6H2,1-2H3;1H4
InChIKeyGOFJLTAGUFOMJK-UHFFFAOYSA-N
MW660.95 g/mol
LogP11.85
Rot. Bonds4

About methane;5-propan-2-yl-1,3-benzodioxole;3-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;6-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indole

methane;5-propan-2-yl-1,3-benzodioxole;3-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;6-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indole (PubChem CID 158315586) has the molecular formula C43H56N4O2 and a molecular weight of 660.95 g/mol. Its IUPAC name is methane;5-propan-2-yl-1,3-benzodioxole;3-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;6-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indole.

Molecular Properties

Compound Namemethane;5-propan-2-yl-1,3-benzodioxole;3-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;6-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indole
PubChem CID158315586
Molecular FormulaC43H56N4O2
Molecular Weight660.95 g/mol
Exact Mass660.44
IUPAC Namemethane;5-propan-2-yl-1,3-benzodioxole;3-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;6-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indole
SMILESC.CC(C)c1ccc2[nH]ccc2c1.CC(C)c1ccc2c(c1)OCO2.CC(C)c1ccc2cn[nH]c2c1.CC(C)c1cnc2c(c1)CCC2
InChIInChI=1S/C11H13N.C11H15N.C10H12N2.C10H12O2.CH4/c1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-8(2)10-6-9-4-3-5-11(9)12-7-10;1-7(2)8-3-4-9-6-11-12-10(9)5-8;1-7(2)8-3-4-9-10(5-8)12-6-11-9;/h3-8,12H,1-2H3;6-8H,3-5H2,1-2H3;3-7H,1-2H3,(H,11,12);3-5,7H,6H2,1-2H3;1H4
InChIKeyGOFJLTAGUFOMJK-UHFFFAOYSA-N
XLogP11.85
TPSA75.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500660.95
LogP ≤ 511.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methane;5-propan-2-yl-1,3-benzodioxole;3-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;6-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indole with MolForge

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Launch Full Analysis

Related Compounds

2-Methoxy-4-{3-[5-(piperidin-1-ylmethyl)-1h-indol-2-yl]-1h-indazol-6-yl}phenol
CID 135508121
5-{5-[(2S)-2-amino-3-(2H-1,3-benzodioxol-5-yl)propoxy]pyridin-3-yl}-3-methyl-1H-indazole
CID 16732418
3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-pyridin-4-yl-1H-indazole
CID 22978132
4-[4-(1H-indazol-4-ylamino)quinolin-6-yl]-2-methoxyphenol
CID 86766641
6-(3,4-dimethoxyphenyl)-N-(1H-indazol-4-yl)quinolin-4-amine
CID 86766647
3-[1,3-benzodioxol-5-yl(1H-indol-3-yl)methyl]-1H-indole
CID 4200841
3-(1-methylindol-5-yl)-5-(3,4,5-trimethoxyphenyl)-1H-indazole
CID 164625387
1-cyclopentyl-N-[[5-[3-[4-(3-fluoro-5-methoxyphenyl)-6-methyl-6,7-dihydro-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]methanamine
CID 137087016
3-[4-(3-fluoro-5-methoxyphenyl)-1H-indol-2-yl]-5-(1-methylpyrazol-4-yl)-1H-indazole
CID 137088656
3-[4-(3-fluoro-5-methoxyphenyl)-1H-indol-2-yl]-5-pyridin-3-yl-1H-indazole
CID 137088874
5-[3-[4-(3-fluoro-5-methoxyphenyl)-1H-indol-2-yl]-1H-indazol-5-yl]-N-propan-2-ylpyridin-3-amine
CID 137088876
5-[3-[4-(3-fluoro-5-methoxyphenyl)-1H-indol-2-yl]-1H-indazol-5-yl]pyridin-3-amine
CID 137115283

Frequently Asked Questions

What is the IUPAC name of methane;5-propan-2-yl-1,3-benzodioxole;3-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;6-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indole?
The IUPAC name of methane;5-propan-2-yl-1,3-benzodioxole;3-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;6-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indole (CID 158315586) is methane;5-propan-2-yl-1,3-benzodioxole;3-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;6-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indole.
What is the SMILES notation for methane;5-propan-2-yl-1,3-benzodioxole;3-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;6-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indole?
The canonical SMILES for methane;5-propan-2-yl-1,3-benzodioxole;3-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;6-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indole is C.CC(C)c1ccc2[nH]ccc2c1.CC(C)c1ccc2c(c1)OCO2.CC(C)c1ccc2cn[nH]c2c1.CC(C)c1cnc2c(c1)CCC2.
What is the InChIKey of methane;5-propan-2-yl-1,3-benzodioxole;3-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;6-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indole?
The InChIKey is GOFJLTAGUFOMJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N.C11H15N.C10H12N2.C10H12O2.CH4/c1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-8(2)10-6-9-4-3-5-11(9)12-7-10;1-7(2)8-3-4-9-6-11-12-10(9)5-8;1-7(2)8-3-4-9-10(5-8)12-6-11-9;/h3-8,12H,1-2H3;6-8H,3-5H2,1-2H3;3-7H,1-2H3,(H,11,12);3-5,7H,6H2,1-2H3;1H4.
What are the key properties of methane;5-propan-2-yl-1,3-benzodioxole;3-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;6-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indole?
methane;5-propan-2-yl-1,3-benzodioxole;3-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;6-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indole has a molecular weight of 660.95 g/mol, XLogP of 11.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methane;5-propan-2-yl-1,3-benzodioxole;3-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;6-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indole is sourced from PubChem (CID 158315586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).