2-ethyl-1-(2-methylphenyl)spiro[2H-pyrrolo[2,3-b]pyridine-3,2'-adamantane]

C25H30N2 — CID 137458212

IUPAC2-ethyl-1-(2-methylphenyl)spiro[2H-pyrrolo[2,3-b]pyridine-3,2'-adamantane]
SMILESCCC1N(c2ccccc2C)c2ncccc2C12C1CC3CC(C1)CC2C3
InChIInChI=1S/C25H30N2/c1-3-23-25(19-12-17-11-18(14-19)15-20(25)13-17)21-8-6-10-26-24(21)27(23)22-9-5-4-7-16(22)2/h4-10,17-20,23H,3,11-15H2,1-2H3
InChIKeyHWLMVXBYDGJTIM-UHFFFAOYSA-N
MW358.53 g/mol
LogP6.01
Rot. Bonds2

About 2-ethyl-1-(2-methylphenyl)spiro[2H-pyrrolo[2,3-b]pyridine-3,2'-adamantane]

2-ethyl-1-(2-methylphenyl)spiro[2H-pyrrolo[2,3-b]pyridine-3,2'-adamantane] (PubChem CID 137458212) has the molecular formula C25H30N2 and a molecular weight of 358.53 g/mol. Its IUPAC name is 2-ethyl-1-(2-methylphenyl)spiro[2H-pyrrolo[2,3-b]pyridine-3,2'-adamantane].

Molecular Properties

Compound Name2-ethyl-1-(2-methylphenyl)spiro[2H-pyrrolo[2,3-b]pyridine-3,2'-adamantane]
PubChem CID137458212
Molecular FormulaC25H30N2
Molecular Weight358.53 g/mol
Exact Mass358.24
IUPAC Name2-ethyl-1-(2-methylphenyl)spiro[2H-pyrrolo[2,3-b]pyridine-3,2'-adamantane]
SMILESCCC1N(c2ccccc2C)c2ncccc2C12C1CC3CC(C1)CC2C3
InChIInChI=1S/C25H30N2/c1-3-23-25(19-12-17-11-18(14-19)15-20(25)13-17)21-8-6-10-26-24(21)27(23)22-9-5-4-7-16(22)2/h4-10,17-20,23H,3,11-15H2,1-2H3
InChIKeyHWLMVXBYDGJTIM-UHFFFAOYSA-N
XLogP6.01
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.53
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

8,8-diethyl-11-(2-methylphenyl)-1,11,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,12(17),13,15-hexaene
CID 123254423
ethane;4-ethyl-2-methyl-18-(2-methylphenyl)-11,13,16,18-tetrazapentacyclo[9.7.0.02,4.05,10.012,17]octadeca-5,7,9,12,14,16-hexaene
CID 144936213
8,8-diethyl-10-methyl-12-(2-methylphenyl)-1,12,17-triazatetracyclo[9.7.0.02,7.013,18]octadeca-2,4,6,13(18),14,16-hexaene
CID 123413354
10,10-dimethyl-8-(2-methylphenyl)-1,3,6,8-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2,4,6,11,13,15-hexaene;ethane
CID 145283629
2-(2-methylphenyl)adamantan-2-ol
CID 14198294
(2S)-2,3-dimethyl-1-(2-methylphenyl)-2H-imidazo[4,5-b]pyridine
CID 118083763
2-methyl-1-(2-methylphenyl)-2H-imidazo[4,5-b]pyridin-3-amine
CID 155394624
3-methyl-4-(2-methylphenyl)spiro[7-thia-4,9-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraene-5,2'-adamantane]
CID 162295947
2-methyl-1-(2-methylphenyl)spiro[2H-indole-3,5'-tetracyclo[7.3.1.04,11.06,11]tridecane]
CID 162297013
5-tert-butyl-8,8,9-triethyl-11-(2-methylphenyl)-1,11,13,16-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-2(7),3,5,12,14,16-hexaene
CID 123961615
(2R)-2-methyl-3-(2-methylphenyl)-1-propan-2-yl-2H-imidazo[4,5-b]pyridine
CID 118084606
10,10-dimethyl-8-phenyl-1,3,6,8-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2,4,6,11,13,15-hexaene
CID 144782319

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(2-methylphenyl)spiro[2H-pyrrolo[2,3-b]pyridine-3,2'-adamantane]?
The IUPAC name of 2-ethyl-1-(2-methylphenyl)spiro[2H-pyrrolo[2,3-b]pyridine-3,2'-adamantane] (CID 137458212) is 2-ethyl-1-(2-methylphenyl)spiro[2H-pyrrolo[2,3-b]pyridine-3,2'-adamantane].
What is the SMILES notation for 2-ethyl-1-(2-methylphenyl)spiro[2H-pyrrolo[2,3-b]pyridine-3,2'-adamantane]?
The canonical SMILES for 2-ethyl-1-(2-methylphenyl)spiro[2H-pyrrolo[2,3-b]pyridine-3,2'-adamantane] is CCC1N(c2ccccc2C)c2ncccc2C12C1CC3CC(C1)CC2C3.
What is the InChIKey of 2-ethyl-1-(2-methylphenyl)spiro[2H-pyrrolo[2,3-b]pyridine-3,2'-adamantane]?
The InChIKey is HWLMVXBYDGJTIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2/c1-3-23-25(19-12-17-11-18(14-19)15-20(25)13-17)21-8-6-10-26-24(21)27(23)22-9-5-4-7-16(22)2/h4-10,17-20,23H,3,11-15H2,1-2H3.
What are the key properties of 2-ethyl-1-(2-methylphenyl)spiro[2H-pyrrolo[2,3-b]pyridine-3,2'-adamantane]?
2-ethyl-1-(2-methylphenyl)spiro[2H-pyrrolo[2,3-b]pyridine-3,2'-adamantane] has a molecular weight of 358.53 g/mol, XLogP of 6.01, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(2-methylphenyl)spiro[2H-pyrrolo[2,3-b]pyridine-3,2'-adamantane] is sourced from PubChem (CID 137458212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).