4-[[4-[2-[(4Z,6E)-9,9a-dihydro-8H-cycloocta[d]imidazol-6-yl]-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]methyl]-1,3-oxazole

C29H33N5O — CID 145431980

IUPAC4-[[4-[2-[(4Z,6E)-9,9a-dihydro-8H-cycloocta[d]imidazol-6-yl]-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]methyl]-1,3-oxazole
SMILESCC(C)c1c(C2=C/CCC3N=CN=C3/C=C\2)[nH]c2ccc(C3CCN(Cc4cocn4)CC3)cc12
InChIInChI=1S/C29H33N5O/c1-19(2)28-24-14-22(20-10-12-34(13-11-20)15-23-16-35-18-32-23)7-8-25(24)33-29(28)21-4-3-5-26-27(9-6-21)31-17-30-26/h4,6-9,14,16-20,26,33H,3,5,10-13,15H2,1-2H3/b9-6-,21-4+
InChIKeyPOJGJLISCNVRFF-GCVKIZBASA-N
MW467.62 g/mol
LogP6.24
Rot. Bonds5

About 4-[[4-[2-[(4Z,6E)-9,9a-dihydro-8H-cycloocta[d]imidazol-6-yl]-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]methyl]-1,3-oxazole

4-[[4-[2-[(4Z,6E)-9,9a-dihydro-8H-cycloocta[d]imidazol-6-yl]-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]methyl]-1,3-oxazole (PubChem CID 145431980) has the molecular formula C29H33N5O and a molecular weight of 467.62 g/mol. Its IUPAC name is 4-[[4-[2-[(4Z,6E)-9,9a-dihydro-8H-cycloocta[d]imidazol-6-yl]-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]methyl]-1,3-oxazole.

Molecular Properties

Compound Name4-[[4-[2-[(4Z,6E)-9,9a-dihydro-8H-cycloocta[d]imidazol-6-yl]-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]methyl]-1,3-oxazole
PubChem CID145431980
Molecular FormulaC29H33N5O
Molecular Weight467.62 g/mol
Exact Mass467.27
IUPAC Name4-[[4-[2-[(4Z,6E)-9,9a-dihydro-8H-cycloocta[d]imidazol-6-yl]-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]methyl]-1,3-oxazole
SMILESCC(C)c1c(C2=C/CCC3N=CN=C3/C=C\2)[nH]c2ccc(C3CCN(Cc4cocn4)CC3)cc12
InChIInChI=1S/C29H33N5O/c1-19(2)28-24-14-22(20-10-12-34(13-11-20)15-23-16-35-18-32-23)7-8-25(24)33-29(28)21-4-3-5-26-27(9-6-21)31-17-30-26/h4,6-9,14,16-20,26,33H,3,5,10-13,15H2,1-2H3/b9-6-,21-4+
InChIKeyPOJGJLISCNVRFF-GCVKIZBASA-N
XLogP6.24
TPSA69.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.62
LogP ≤ 56.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[[4-[2-[(4Z,6E)-9,9a-dihydro-8H-cycloocta[d]imidazol-6-yl]-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]methyl]-1,3-oxazole with MolForge

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Related Compounds

1-[4-[2-(9,9a-dihydro-8H-cycloocta[d]imidazol-6-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-(methylamino)ethanone
CID 163971159
(4E,6E)-6-[5-[1-(oxetan-3-yl)piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]-9,9a-dihydro-8H-cycloocta[d]imidazole-4-carbonitrile
CID 145431865
(4Z,6E)-4-methyl-6-[5-[1-[1-(6-methylpyridazin-3-yl)ethyl]piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]-9,9a-dihydro-8H-cycloocta[d]imidazole
CID 145431802
2-(2,6-dimethyl-4-pyridinyl)-5-[1-[(1-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]-3-propan-2-yl-1H-indole
CID 134329543
5-[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]-2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indole
CID 134329764
4-methyl-6-[5-[1-[(1-methylpyrazol-3-yl)methyl]piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]triazolo[1,5-a]pyridine
CID 142594830
2-(2-cyclopropyl-4-pyridinyl)-5-[1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-4-yl]-3-propan-2-yl-1H-indole
CID 134330189
2-[4-[2-(3-fluoro-1,2-dihydropyridin-5-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]acetaldehyde
CID 166655579
2-(2,6-dimethyl-4-pyridinyl)-5-[1-[(2-methoxypyrimidin-5-yl)methyl]piperidin-4-yl]-3-propan-2-yl-1H-indole
CID 134329401
2-[4-[2-[(2Z)-1-amino-2-(1-aminoethylidene)-4-pyridinyl]-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]acetamide
CID 142594524
2-(5-fluoro-2-methyl-4-pyridinyl)-5-(1-methylpiperidin-4-yl)-3-propan-2-yl-1H-indole
CID 134329447
7-methyl-6-[5-[1-[(1-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]tetrazolo[1,5-a]pyridine
CID 142594126

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[2-[(4Z,6E)-9,9a-dihydro-8H-cycloocta[d]imidazol-6-yl]-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]methyl]-1,3-oxazole?
The IUPAC name of 4-[[4-[2-[(4Z,6E)-9,9a-dihydro-8H-cycloocta[d]imidazol-6-yl]-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]methyl]-1,3-oxazole (CID 145431980) is 4-[[4-[2-[(4Z,6E)-9,9a-dihydro-8H-cycloocta[d]imidazol-6-yl]-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]methyl]-1,3-oxazole.
What is the SMILES notation for 4-[[4-[2-[(4Z,6E)-9,9a-dihydro-8H-cycloocta[d]imidazol-6-yl]-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]methyl]-1,3-oxazole?
The canonical SMILES for 4-[[4-[2-[(4Z,6E)-9,9a-dihydro-8H-cycloocta[d]imidazol-6-yl]-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]methyl]-1,3-oxazole is CC(C)c1c(C2=C/CCC3N=CN=C3/C=C\2)[nH]c2ccc(C3CCN(Cc4cocn4)CC3)cc12.
What is the InChIKey of 4-[[4-[2-[(4Z,6E)-9,9a-dihydro-8H-cycloocta[d]imidazol-6-yl]-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]methyl]-1,3-oxazole?
The InChIKey is POJGJLISCNVRFF-GCVKIZBASA-N. The full InChI is InChI=1S/C29H33N5O/c1-19(2)28-24-14-22(20-10-12-34(13-11-20)15-23-16-35-18-32-23)7-8-25(24)33-29(28)21-4-3-5-26-27(9-6-21)31-17-30-26/h4,6-9,14,16-20,26,33H,3,5,10-13,15H2,1-2H3/b9-6-,21-4+.
What are the key properties of 4-[[4-[2-[(4Z,6E)-9,9a-dihydro-8H-cycloocta[d]imidazol-6-yl]-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]methyl]-1,3-oxazole?
4-[[4-[2-[(4Z,6E)-9,9a-dihydro-8H-cycloocta[d]imidazol-6-yl]-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]methyl]-1,3-oxazole has a molecular weight of 467.62 g/mol, XLogP of 6.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[2-[(4Z,6E)-9,9a-dihydro-8H-cycloocta[d]imidazol-6-yl]-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]methyl]-1,3-oxazole is sourced from PubChem (CID 145431980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).