5,6,7,8,9,10-hexahydrocyclohepta[b]indol-2-yl-[4-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methanone

C24H26N6O — CID 166231016

IUPAC5,6,7,8,9,10-hexahydrocyclohepta[b]indol-2-yl-[4-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methanone
SMILESO=C(c1ccc2[nH]c3c(c2c1)CCCCC3)N1CCC(c2nnc3cnccn23)CC1
InChIInChI=1S/C24H26N6O/c31-24(17-6-7-21-19(14-17)18-4-2-1-3-5-20(18)26-21)29-11-8-16(9-12-29)23-28-27-22-15-25-10-13-30(22)23/h6-7,10,13-16,26H,1-5,8-9,11-12H2
InChIKeyCKCUULXCNXEEII-UHFFFAOYSA-N
MW414.51 g/mol
LogP3.89
Rot. Bonds2

About 5,6,7,8,9,10-hexahydrocyclohepta[b]indol-2-yl-[4-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methanone

5,6,7,8,9,10-hexahydrocyclohepta[b]indol-2-yl-[4-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methanone (PubChem CID 166231016) has the molecular formula C24H26N6O and a molecular weight of 414.51 g/mol. Its IUPAC name is 5,6,7,8,9,10-hexahydrocyclohepta[b]indol-2-yl-[4-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name5,6,7,8,9,10-hexahydrocyclohepta[b]indol-2-yl-[4-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methanone
PubChem CID166231016
Molecular FormulaC24H26N6O
Molecular Weight414.51 g/mol
Exact Mass414.22
IUPAC Name5,6,7,8,9,10-hexahydrocyclohepta[b]indol-2-yl-[4-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methanone
SMILESO=C(c1ccc2[nH]c3c(c2c1)CCCCC3)N1CCC(c2nnc3cnccn23)CC1
InChIInChI=1S/C24H26N6O/c31-24(17-6-7-21-19(14-17)18-4-2-1-3-5-20(18)26-21)29-11-8-16(9-12-29)23-28-27-22-15-25-10-13-30(22)23/h6-7,10,13-16,26H,1-5,8-9,11-12H2
InChIKeyCKCUULXCNXEEII-UHFFFAOYSA-N
XLogP3.89
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze 5,6,7,8,9,10-hexahydrocyclohepta[b]indol-2-yl-[4-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methanone with MolForge

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Related Compounds

[(2S)-2-methylmorpholin-4-yl]-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)methanone
CID 41247140
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CID 166610070
pyridin-3-yl-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 43018368
[4-(3-methylphenyl)piperazin-1-yl]-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)methanone
CID 25398074
[8-(cyclohexylamino)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]-pyrrolidin-1-ylmethanone
CID 59014623
6,7,8,9-tetrahydro-5H-carbazol-3-yl-[4-(1-thiophen-2-ylethyl)piperazin-1-yl]methanone
CID 22017564
(2-cyclohexyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-8-yl)-(4-methylpiperidin-1-yl)methanone
CID 173179128
[1-(1H-indazole-5-carbonyl)piperidin-3-yl]-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 154833498
6,7,8,9-tetrahydro-5H-carbazol-3-yl-[4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]methanone
CID 55414599
(2-chloro-4-pyridinyl)-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 46576736
(2-cyclopentyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-8-yl)-(4-methylpiperidin-1-yl)methanone;ethane
CID 143296321
1-[(6S)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl]piperidine-4-carboxamide
CID 41099535

Frequently Asked Questions

What is the IUPAC name of 5,6,7,8,9,10-hexahydrocyclohepta[b]indol-2-yl-[4-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methanone?
The IUPAC name of 5,6,7,8,9,10-hexahydrocyclohepta[b]indol-2-yl-[4-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methanone (CID 166231016) is 5,6,7,8,9,10-hexahydrocyclohepta[b]indol-2-yl-[4-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methanone.
What is the SMILES notation for 5,6,7,8,9,10-hexahydrocyclohepta[b]indol-2-yl-[4-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methanone?
The canonical SMILES for 5,6,7,8,9,10-hexahydrocyclohepta[b]indol-2-yl-[4-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methanone is O=C(c1ccc2[nH]c3c(c2c1)CCCCC3)N1CCC(c2nnc3cnccn23)CC1.
What is the InChIKey of 5,6,7,8,9,10-hexahydrocyclohepta[b]indol-2-yl-[4-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methanone?
The InChIKey is CKCUULXCNXEEII-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O/c31-24(17-6-7-21-19(14-17)18-4-2-1-3-5-20(18)26-21)29-11-8-16(9-12-29)23-28-27-22-15-25-10-13-30(22)23/h6-7,10,13-16,26H,1-5,8-9,11-12H2.
What are the key properties of 5,6,7,8,9,10-hexahydrocyclohepta[b]indol-2-yl-[4-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methanone?
5,6,7,8,9,10-hexahydrocyclohepta[b]indol-2-yl-[4-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methanone has a molecular weight of 414.51 g/mol, XLogP of 3.89, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7,8,9,10-hexahydrocyclohepta[b]indol-2-yl-[4-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 166231016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).