5-(2,2-dimethylpropyl)-7H-cyclopenta[b]pyridine;2-(2,2-dimethylpropyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine;3-(2,2-dimethylpropyl)-1-methylindazole;3-(2,2-dimethylpropyl)-1-methylpyrrolo[2,3-b]pyridine;[3-(2,2-dimethylpropyl)phenyl]-(6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)methanone;2-(2,2-dimethylpropyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;methane

C86H123N9O2 — CID 158735111

IUPAC5-(2,2-dimethylpropyl)-7H-cyclopenta[b]pyridine;2-(2,2-dimethylpropyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine;3-(2,2-dimethylpropyl)-1-methylindazole;3-(2,2-dimethylpropyl)-1-methylpyrrolo[2,3-b]pyridine;[3-(2,2-dimethylpropyl)phenyl]-(6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)methanone;2-(2,2-dimethylpropyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;methane
SMILESC.CC(C)(C)CC1=CCc2ncccc21.CC(C)(C)Cc1cc2n(n1)CCCC2.CC(C)(C)Cc1cc2n(n1)CCCO2.Cc1ccc2c(c1)CCCC2C(=O)c1cccc(CC(C)(C)C)c1.Cn1cc(CC(C)(C)C)c2cccnc21.Cn1nc(CC(C)(C)C)c2ccccc21
InChIInChI=1S/C23H28O.2C13H18N2.C13H17N.C12H20N2.C11H18N2O.CH4/c1-16-11-12-20-18(13-16)8-6-10-21(20)22(24)19-9-5-7-17(14-19)15-23(2,3)4;1-13(2,3)8-10-9-15(4)12-11(10)6-5-7-14-12;1-13(2,3)9-11-10-7-5-6-8-12(10)15(4)14-11;1-13(2,3)9-10-6-7-12-11(10)5-4-8-14-12;1-12(2,3)9-10-8-11-6-4-5-7-14(11)13-10;1-11(2,3)8-9-7-10-13(12-9)5-4-6-14-10;/h5,7,9,11-14,21H,6,8,10,15H2,1-4H3;5-7,9H,8H2,1-4H3;5-8H,9H2,1-4H3;4-6,8H,7,9H2,1-3H3;8H,4-7,9H2,1-3H3;7H,4-6,8H2,1-3H3;1H4
InChIKeyILOUHJJTZJENIJ-UHFFFAOYSA-N
MW1314.99 g/mol
LogP21.37
Rot. Bonds8

About 5-(2,2-dimethylpropyl)-7H-cyclopenta[b]pyridine;2-(2,2-dimethylpropyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine;3-(2,2-dimethylpropyl)-1-methylindazole;3-(2,2-dimethylpropyl)-1-methylpyrrolo[2,3-b]pyridine;[3-(2,2-dimethylpropyl)phenyl]-(6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)methanone;2-(2,2-dimethylpropyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;methane

5-(2,2-dimethylpropyl)-7H-cyclopenta[b]pyridine;2-(2,2-dimethylpropyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine;3-(2,2-dimethylpropyl)-1-methylindazole;3-(2,2-dimethylpropyl)-1-methylpyrrolo[2,3-b]pyridine;[3-(2,2-dimethylpropyl)phenyl]-(6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)methanone;2-(2,2-dimethylpropyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;methane (PubChem CID 158735111) has the molecular formula C86H123N9O2 and a molecular weight of 1314.99 g/mol. Its IUPAC name is 5-(2,2-dimethylpropyl)-7H-cyclopenta[b]pyridine;2-(2,2-dimethylpropyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine;3-(2,2-dimethylpropyl)-1-methylindazole;3-(2,2-dimethylpropyl)-1-methylpyrrolo[2,3-b]pyridine;[3-(2,2-dimethylpropyl)phenyl]-(6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)methanone;2-(2,2-dimethylpropyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;methane.

Molecular Properties

Compound Name5-(2,2-dimethylpropyl)-7H-cyclopenta[b]pyridine;2-(2,2-dimethylpropyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine;3-(2,2-dimethylpropyl)-1-methylindazole;3-(2,2-dimethylpropyl)-1-methylpyrrolo[2,3-b]pyridine;[3-(2,2-dimethylpropyl)phenyl]-(6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)methanone;2-(2,2-dimethylpropyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;methane
PubChem CID158735111
Molecular FormulaC86H123N9O2
Molecular Weight1314.99 g/mol
Exact Mass1313.98
IUPAC Name5-(2,2-dimethylpropyl)-7H-cyclopenta[b]pyridine;2-(2,2-dimethylpropyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine;3-(2,2-dimethylpropyl)-1-methylindazole;3-(2,2-dimethylpropyl)-1-methylpyrrolo[2,3-b]pyridine;[3-(2,2-dimethylpropyl)phenyl]-(6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)methanone;2-(2,2-dimethylpropyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;methane
SMILESC.CC(C)(C)CC1=CCc2ncccc21.CC(C)(C)Cc1cc2n(n1)CCCC2.CC(C)(C)Cc1cc2n(n1)CCCO2.Cc1ccc2c(c1)CCCC2C(=O)c1cccc(CC(C)(C)C)c1.Cn1cc(CC(C)(C)C)c2cccnc21.Cn1nc(CC(C)(C)C)c2ccccc21
InChIInChI=1S/C23H28O.2C13H18N2.C13H17N.C12H20N2.C11H18N2O.CH4/c1-16-11-12-20-18(13-16)8-6-10-21(20)22(24)19-9-5-7-17(14-19)15-23(2,3)4;1-13(2,3)8-10-9-15(4)12-11(10)6-5-7-14-12;1-13(2,3)9-11-10-7-5-6-8-12(10)15(4)14-11;1-13(2,3)9-10-6-7-12-11(10)5-4-8-14-12;1-12(2,3)9-10-8-11-6-4-5-7-14(11)13-10;1-11(2,3)8-9-7-10-13(12-9)5-4-6-14-10;/h5,7,9,11-14,21H,6,8,10,15H2,1-4H3;5-7,9H,8H2,1-4H3;5-8H,9H2,1-4H3;4-6,8H,7,9H2,1-3H3;8H,4-7,9H2,1-3H3;7H,4-6,8H2,1-3H3;1H4
InChIKeyILOUHJJTZJENIJ-UHFFFAOYSA-N
XLogP21.37
TPSA110.47 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms97
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001314.99
LogP ≤ 521.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 5-(2,2-dimethylpropyl)-7H-cyclopenta[b]pyridine;2-(2,2-dimethylpropyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine;3-(2,2-dimethylpropyl)-1-methylindazole;3-(2,2-dimethylpropyl)-1-methylpyrrolo[2,3-b]pyridine;[3-(2,2-dimethylpropyl)phenyl]-(6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)methanone;2-(2,2-dimethylpropyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;methane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethylpropyl)-7H-cyclopenta[b]pyridine;2-(2,2-dimethylpropyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine;3-(2,2-dimethylpropyl)-1-methylindazole;3-(2,2-dimethylpropyl)-1-methylpyrrolo[2,3-b]pyridine;[3-(2,2-dimethylpropyl)phenyl]-(6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)methanone;2-(2,2-dimethylpropyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;methane?
The IUPAC name of 5-(2,2-dimethylpropyl)-7H-cyclopenta[b]pyridine;2-(2,2-dimethylpropyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine;3-(2,2-dimethylpropyl)-1-methylindazole;3-(2,2-dimethylpropyl)-1-methylpyrrolo[2,3-b]pyridine;[3-(2,2-dimethylpropyl)phenyl]-(6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)methanone;2-(2,2-dimethylpropyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;methane (CID 158735111) is 5-(2,2-dimethylpropyl)-7H-cyclopenta[b]pyridine;2-(2,2-dimethylpropyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine;3-(2,2-dimethylpropyl)-1-methylindazole;3-(2,2-dimethylpropyl)-1-methylpyrrolo[2,3-b]pyridine;[3-(2,2-dimethylpropyl)phenyl]-(6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)methanone;2-(2,2-dimethylpropyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;methane.
What is the SMILES notation for 5-(2,2-dimethylpropyl)-7H-cyclopenta[b]pyridine;2-(2,2-dimethylpropyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine;3-(2,2-dimethylpropyl)-1-methylindazole;3-(2,2-dimethylpropyl)-1-methylpyrrolo[2,3-b]pyridine;[3-(2,2-dimethylpropyl)phenyl]-(6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)methanone;2-(2,2-dimethylpropyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;methane?
The canonical SMILES for 5-(2,2-dimethylpropyl)-7H-cyclopenta[b]pyridine;2-(2,2-dimethylpropyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine;3-(2,2-dimethylpropyl)-1-methylindazole;3-(2,2-dimethylpropyl)-1-methylpyrrolo[2,3-b]pyridine;[3-(2,2-dimethylpropyl)phenyl]-(6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)methanone;2-(2,2-dimethylpropyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;methane is C.CC(C)(C)CC1=CCc2ncccc21.CC(C)(C)Cc1cc2n(n1)CCCC2.CC(C)(C)Cc1cc2n(n1)CCCO2.Cc1ccc2c(c1)CCCC2C(=O)c1cccc(CC(C)(C)C)c1.Cn1cc(CC(C)(C)C)c2cccnc21.Cn1nc(CC(C)(C)C)c2ccccc21.
What is the InChIKey of 5-(2,2-dimethylpropyl)-7H-cyclopenta[b]pyridine;2-(2,2-dimethylpropyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine;3-(2,2-dimethylpropyl)-1-methylindazole;3-(2,2-dimethylpropyl)-1-methylpyrrolo[2,3-b]pyridine;[3-(2,2-dimethylpropyl)phenyl]-(6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)methanone;2-(2,2-dimethylpropyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;methane?
The InChIKey is ILOUHJJTZJENIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28O.2C13H18N2.C13H17N.C12H20N2.C11H18N2O.CH4/c1-16-11-12-20-18(13-16)8-6-10-21(20)22(24)19-9-5-7-17(14-19)15-23(2,3)4;1-13(2,3)8-10-9-15(4)12-11(10)6-5-7-14-12;1-13(2,3)9-11-10-7-5-6-8-12(10)15(4)14-11;1-13(2,3)9-10-6-7-12-11(10)5-4-8-14-12;1-12(2,3)9-10-8-11-6-4-5-7-14(11)13-10;1-11(2,3)8-9-7-10-13(12-9)5-4-6-14-10;/h5,7,9,11-14,21H,6,8,10,15H2,1-4H3;5-7,9H,8H2,1-4H3;5-8H,9H2,1-4H3;4-6,8H,7,9H2,1-3H3;8H,4-7,9H2,1-3H3;7H,4-6,8H2,1-3H3;1H4.
What are the key properties of 5-(2,2-dimethylpropyl)-7H-cyclopenta[b]pyridine;2-(2,2-dimethylpropyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine;3-(2,2-dimethylpropyl)-1-methylindazole;3-(2,2-dimethylpropyl)-1-methylpyrrolo[2,3-b]pyridine;[3-(2,2-dimethylpropyl)phenyl]-(6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)methanone;2-(2,2-dimethylpropyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;methane?
5-(2,2-dimethylpropyl)-7H-cyclopenta[b]pyridine;2-(2,2-dimethylpropyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine;3-(2,2-dimethylpropyl)-1-methylindazole;3-(2,2-dimethylpropyl)-1-methylpyrrolo[2,3-b]pyridine;[3-(2,2-dimethylpropyl)phenyl]-(6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)methanone;2-(2,2-dimethylpropyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;methane has a molecular weight of 1314.99 g/mol, XLogP of 21.37, 8 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethylpropyl)-7H-cyclopenta[b]pyridine;2-(2,2-dimethylpropyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine;3-(2,2-dimethylpropyl)-1-methylindazole;3-(2,2-dimethylpropyl)-1-methylpyrrolo[2,3-b]pyridine;[3-(2,2-dimethylpropyl)phenyl]-(6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)methanone;2-(2,2-dimethylpropyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;methane is sourced from PubChem (CID 158735111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).