[4-(imidazo[1,2-a]pyridin-3-ylmethyl)piperazin-1-yl]-(1H-indol-3-yl)methanone

C21H21N5O — CID 90571872

IUPAC[4-(imidazo[1,2-a]pyridin-3-ylmethyl)piperazin-1-yl]-(1H-indol-3-yl)methanone
SMILESO=C(c1c[nH]c2ccccc12)N1CCN(Cc2cnc3ccccn23)CC1
InChIInChI=1S/C21H21N5O/c27-21(18-14-22-19-6-2-1-5-17(18)19)25-11-9-24(10-12-25)15-16-13-23-20-7-3-4-8-26(16)20/h1-8,13-14,22H,9-12,15H2
InChIKeyQVRCINACQKCFTF-UHFFFAOYSA-N
MW359.43 g/mol
LogP2.77
Rot. Bonds3

About [4-(imidazo[1,2-a]pyridin-3-ylmethyl)piperazin-1-yl]-(1H-indol-3-yl)methanone

[4-(imidazo[1,2-a]pyridin-3-ylmethyl)piperazin-1-yl]-(1H-indol-3-yl)methanone (PubChem CID 90571872) has the molecular formula C21H21N5O and a molecular weight of 359.43 g/mol. Its IUPAC name is [4-(imidazo[1,2-a]pyridin-3-ylmethyl)piperazin-1-yl]-(1H-indol-3-yl)methanone.

Molecular Properties

Compound Name[4-(imidazo[1,2-a]pyridin-3-ylmethyl)piperazin-1-yl]-(1H-indol-3-yl)methanone
PubChem CID90571872
Molecular FormulaC21H21N5O
Molecular Weight359.43 g/mol
Exact Mass359.17
IUPAC Name[4-(imidazo[1,2-a]pyridin-3-ylmethyl)piperazin-1-yl]-(1H-indol-3-yl)methanone
SMILESO=C(c1c[nH]c2ccccc12)N1CCN(Cc2cnc3ccccn23)CC1
InChIInChI=1S/C21H21N5O/c27-21(18-14-22-19-6-2-1-5-17(18)19)25-11-9-24(10-12-25)15-16-13-23-20-7-3-4-8-26(16)20/h1-8,13-14,22H,9-12,15H2
InChIKeyQVRCINACQKCFTF-UHFFFAOYSA-N
XLogP2.77
TPSA56.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-fluorophenyl)-[4-(imidazo[1,2-a]pyridin-3-ylmethyl)piperazin-1-yl]methanone
CID 90571769
(4-fluorophenyl)-[4-(imidazo[1,2-a]pyridin-3-ylmethyl)piperazin-1-yl]methanone
CID 90571771
1-[4-(imidazo[1,2-a]pyridin-3-ylmethyl)piperazin-1-yl]ethanone
CID 90571718
1-[4-(imidazo[1,2-a]pyridin-3-ylmethyl)piperazin-1-yl]-2-(2-methyl-1H-indol-3-yl)ethane-1,2-dione
CID 90571849
[4-(imidazo[1,2-a]pyridin-3-ylmethyl)piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 90571889
[4-(imidazo[1,2-a]pyridin-3-ylmethyl)piperazin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone
CID 90571697
N-cyclopropyl-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-2-(1H-indol-3-yl)-2-oxoacetamide
CID 90569932
1H-indol-3-yl-[4-(2-phenylethyl)piperazin-1-yl]methanone
CID 86188477
3-(4-benzylpiperazine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one
CID 16620986
1H-indol-3-yl(morpholin-4-yl)methanone
CID 1481812
1-[4-(imidazo[1,2-a]pyridin-3-ylmethyl)piperazin-1-yl]-2-(2-methoxyphenoxy)ethanone
CID 90571811
2-[4-(imidazo[1,2-a]pyridin-3-ylmethyl)piperazin-1-yl]phenol
CID 71929727

Frequently Asked Questions

What is the IUPAC name of [4-(imidazo[1,2-a]pyridin-3-ylmethyl)piperazin-1-yl]-(1H-indol-3-yl)methanone?
The IUPAC name of [4-(imidazo[1,2-a]pyridin-3-ylmethyl)piperazin-1-yl]-(1H-indol-3-yl)methanone (CID 90571872) is [4-(imidazo[1,2-a]pyridin-3-ylmethyl)piperazin-1-yl]-(1H-indol-3-yl)methanone.
What is the SMILES notation for [4-(imidazo[1,2-a]pyridin-3-ylmethyl)piperazin-1-yl]-(1H-indol-3-yl)methanone?
The canonical SMILES for [4-(imidazo[1,2-a]pyridin-3-ylmethyl)piperazin-1-yl]-(1H-indol-3-yl)methanone is O=C(c1c[nH]c2ccccc12)N1CCN(Cc2cnc3ccccn23)CC1.
What is the InChIKey of [4-(imidazo[1,2-a]pyridin-3-ylmethyl)piperazin-1-yl]-(1H-indol-3-yl)methanone?
The InChIKey is QVRCINACQKCFTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O/c27-21(18-14-22-19-6-2-1-5-17(18)19)25-11-9-24(10-12-25)15-16-13-23-20-7-3-4-8-26(16)20/h1-8,13-14,22H,9-12,15H2.
What are the key properties of [4-(imidazo[1,2-a]pyridin-3-ylmethyl)piperazin-1-yl]-(1H-indol-3-yl)methanone?
[4-(imidazo[1,2-a]pyridin-3-ylmethyl)piperazin-1-yl]-(1H-indol-3-yl)methanone has a molecular weight of 359.43 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(imidazo[1,2-a]pyridin-3-ylmethyl)piperazin-1-yl]-(1H-indol-3-yl)methanone is sourced from PubChem (CID 90571872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).