1-imidazo[1,2-a]pyridin-6-yl-6-[1-(1H-indole-5-carbonyl)piperidin-4-yl]hexan-1-one

C27H30N4O2 — CID 146900861

IUPAC1-imidazo[1,2-a]pyridin-6-yl-6-[1-(1H-indole-5-carbonyl)piperidin-4-yl]hexan-1-one
SMILESO=C(CCCCCC1CCN(C(=O)c2ccc3[nH]ccc3c2)CC1)c1ccc2nccn2c1
InChIInChI=1S/C27H30N4O2/c32-25(23-7-9-26-29-14-17-31(26)19-23)5-3-1-2-4-20-11-15-30(16-12-20)27(33)22-6-8-24-21(18-22)10-13-28-24/h6-10,13-14,17-20,28H,1-5,11-12,15-16H2
InChIKeyOIELEBGVTQDPHA-UHFFFAOYSA-N
MW442.56 g/mol
LogP5.50
Rot. Bonds8

About 1-imidazo[1,2-a]pyridin-6-yl-6-[1-(1H-indole-5-carbonyl)piperidin-4-yl]hexan-1-one

1-imidazo[1,2-a]pyridin-6-yl-6-[1-(1H-indole-5-carbonyl)piperidin-4-yl]hexan-1-one (PubChem CID 146900861) has the molecular formula C27H30N4O2 and a molecular weight of 442.56 g/mol. Its IUPAC name is 1-imidazo[1,2-a]pyridin-6-yl-6-[1-(1H-indole-5-carbonyl)piperidin-4-yl]hexan-1-one.

Molecular Properties

Compound Name1-imidazo[1,2-a]pyridin-6-yl-6-[1-(1H-indole-5-carbonyl)piperidin-4-yl]hexan-1-one
PubChem CID146900861
Molecular FormulaC27H30N4O2
Molecular Weight442.56 g/mol
Exact Mass442.24
IUPAC Name1-imidazo[1,2-a]pyridin-6-yl-6-[1-(1H-indole-5-carbonyl)piperidin-4-yl]hexan-1-one
SMILESO=C(CCCCCC1CCN(C(=O)c2ccc3[nH]ccc3c2)CC1)c1ccc2nccn2c1
InChIInChI=1S/C27H30N4O2/c32-25(23-7-9-26-29-14-17-31(26)19-23)5-3-1-2-4-20-11-15-30(16-12-20)27(33)22-6-8-24-21(18-22)10-13-28-24/h6-10,13-14,17-20,28H,1-5,11-12,15-16H2
InChIKeyOIELEBGVTQDPHA-UHFFFAOYSA-N
XLogP5.50
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.56
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-imidazo[1,2-a]pyridin-6-yl-6-[1-(1H-indole-5-carbonyl)piperidin-4-yl]hexan-1-one with MolForge

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Related Compounds

N-[4-[1-(naphthalene-2-carbonyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 129142501
[4-[(dimethylamino)methyl]piperidin-1-yl]-(1H-indol-5-yl)methanone
CID 63723758
[3-(2-hydroxyethyl)pyrrolidin-1-yl]-(1H-indol-5-yl)methanone
CID 115775238
N-[4-[1-(1H-indole-5-carbonyl)piperidin-4-yl]butyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
CID 70984090
imidazo[1,2-a]pyridin-6-yl-[(3R)-3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 124612790
N-[4-[1-(2,4-difluorobenzoyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 70984745
[4-(cyclopropylmethylamino)piperidin-1-yl]-imidazo[1,2-a]pyridin-6-ylmethanone
CID 119622933
[4-(3-aminopropoxy)piperidin-1-yl]-imidazo[1,2-a]pyridin-6-ylmethanone
CID 119662618
N-[4-[1-(2,5-dimethoxybenzoyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 70983545
N-[4-[1-(2-methyl-1,3-thiazolidine-4-carbonyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 90381452
[4-[(3-bromo-2-pyridinyl)oxy]piperidin-1-yl]-(1H-indol-5-yl)methanone
CID 71799506
N-[[1-(imidazo[1,2-a]pyridine-6-carbonyl)piperidin-4-yl]methyl]-N,1-dimethylpiperidine-4-carboxamide
CID 167909355

Frequently Asked Questions

What is the IUPAC name of 1-imidazo[1,2-a]pyridin-6-yl-6-[1-(1H-indole-5-carbonyl)piperidin-4-yl]hexan-1-one?
The IUPAC name of 1-imidazo[1,2-a]pyridin-6-yl-6-[1-(1H-indole-5-carbonyl)piperidin-4-yl]hexan-1-one (CID 146900861) is 1-imidazo[1,2-a]pyridin-6-yl-6-[1-(1H-indole-5-carbonyl)piperidin-4-yl]hexan-1-one.
What is the SMILES notation for 1-imidazo[1,2-a]pyridin-6-yl-6-[1-(1H-indole-5-carbonyl)piperidin-4-yl]hexan-1-one?
The canonical SMILES for 1-imidazo[1,2-a]pyridin-6-yl-6-[1-(1H-indole-5-carbonyl)piperidin-4-yl]hexan-1-one is O=C(CCCCCC1CCN(C(=O)c2ccc3[nH]ccc3c2)CC1)c1ccc2nccn2c1.
What is the InChIKey of 1-imidazo[1,2-a]pyridin-6-yl-6-[1-(1H-indole-5-carbonyl)piperidin-4-yl]hexan-1-one?
The InChIKey is OIELEBGVTQDPHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O2/c32-25(23-7-9-26-29-14-17-31(26)19-23)5-3-1-2-4-20-11-15-30(16-12-20)27(33)22-6-8-24-21(18-22)10-13-28-24/h6-10,13-14,17-20,28H,1-5,11-12,15-16H2.
What are the key properties of 1-imidazo[1,2-a]pyridin-6-yl-6-[1-(1H-indole-5-carbonyl)piperidin-4-yl]hexan-1-one?
1-imidazo[1,2-a]pyridin-6-yl-6-[1-(1H-indole-5-carbonyl)piperidin-4-yl]hexan-1-one has a molecular weight of 442.56 g/mol, XLogP of 5.50, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-imidazo[1,2-a]pyridin-6-yl-6-[1-(1H-indole-5-carbonyl)piperidin-4-yl]hexan-1-one is sourced from PubChem (CID 146900861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).