[4-(imidazo[1,2-a]pyridin-3-ylmethyl)piperazin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone

C22H22N6O — CID 90571697

IUPAC[4-(imidazo[1,2-a]pyridin-3-ylmethyl)piperazin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone
SMILESO=C(c1cc(-c2ccccc2)n[nH]1)N1CCN(Cc2cnc3ccccn23)CC1
InChIInChI=1S/C22H22N6O/c29-22(20-14-19(24-25-20)17-6-2-1-3-7-17)27-12-10-26(11-13-27)16-18-15-23-21-8-4-5-9-28(18)21/h1-9,14-15H,10-13,16H2,(H,24,25)
InChIKeyJYUNNDPYBOGUTH-UHFFFAOYSA-N
MW386.46 g/mol
LogP2.68
Rot. Bonds4

About [4-(imidazo[1,2-a]pyridin-3-ylmethyl)piperazin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone

[4-(imidazo[1,2-a]pyridin-3-ylmethyl)piperazin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone (PubChem CID 90571697) has the molecular formula C22H22N6O and a molecular weight of 386.46 g/mol. Its IUPAC name is [4-(imidazo[1,2-a]pyridin-3-ylmethyl)piperazin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone.

Molecular Properties

Compound Name[4-(imidazo[1,2-a]pyridin-3-ylmethyl)piperazin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone
PubChem CID90571697
Molecular FormulaC22H22N6O
Molecular Weight386.46 g/mol
Exact Mass386.19
IUPAC Name[4-(imidazo[1,2-a]pyridin-3-ylmethyl)piperazin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone
SMILESO=C(c1cc(-c2ccccc2)n[nH]1)N1CCN(Cc2cnc3ccccn23)CC1
InChIInChI=1S/C22H22N6O/c29-22(20-14-19(24-25-20)17-6-2-1-3-7-17)27-12-10-26(11-13-27)16-18-15-23-21-8-4-5-9-28(18)21/h1-9,14-15H,10-13,16H2,(H,24,25)
InChIKeyJYUNNDPYBOGUTH-UHFFFAOYSA-N
XLogP2.68
TPSA69.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(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
(2-fluorophenyl)-[4-(imidazo[1,2-a]pyridin-3-ylmethyl)piperazin-1-yl]methanone
CID 90571769
(3,4-dimethylphenyl)-[4-(imidazo[1,2-a]pyridin-3-ylmethyl)piperazin-1-yl]methanone
CID 90571752
[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]-(1H-indol-3-yl)methanone
CID 90571872
1-[4-(imidazo[1,2-a]pyridin-3-ylmethyl)piperazin-1-yl]-2-(2-methoxyphenoxy)ethanone
CID 90571811
(3-phenyl-1H-pyrazol-5-yl)-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]methanone
CID 71702362
(3-phenyl-1H-pyrazol-5-yl)-piperazin-1-ylmethanone;hydrochloride
CID 119403052
[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone
CID 19515188
(3-phenyl-1H-pyrazol-5-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 42024085
(2-bromophenyl)-[4-(3-phenyl-1H-pyrazole-5-carbonyl)piperazin-1-yl]methanone
CID 20910987

Frequently Asked Questions

What is the IUPAC name of [4-(imidazo[1,2-a]pyridin-3-ylmethyl)piperazin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone?
The IUPAC name of [4-(imidazo[1,2-a]pyridin-3-ylmethyl)piperazin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone (CID 90571697) is [4-(imidazo[1,2-a]pyridin-3-ylmethyl)piperazin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone.
What is the SMILES notation for [4-(imidazo[1,2-a]pyridin-3-ylmethyl)piperazin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone?
The canonical SMILES for [4-(imidazo[1,2-a]pyridin-3-ylmethyl)piperazin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone is O=C(c1cc(-c2ccccc2)n[nH]1)N1CCN(Cc2cnc3ccccn23)CC1.
What is the InChIKey of [4-(imidazo[1,2-a]pyridin-3-ylmethyl)piperazin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone?
The InChIKey is JYUNNDPYBOGUTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O/c29-22(20-14-19(24-25-20)17-6-2-1-3-7-17)27-12-10-26(11-13-27)16-18-15-23-21-8-4-5-9-28(18)21/h1-9,14-15H,10-13,16H2,(H,24,25).
What are the key properties of [4-(imidazo[1,2-a]pyridin-3-ylmethyl)piperazin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone?
[4-(imidazo[1,2-a]pyridin-3-ylmethyl)piperazin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone has a molecular weight of 386.46 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(imidazo[1,2-a]pyridin-3-ylmethyl)piperazin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone is sourced from PubChem (CID 90571697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).