cyclobutyl-[4-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoyl]piperazin-1-yl]methanone

C24H26N4O3 — CID 56512574

IUPACcyclobutyl-[4-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoyl]piperazin-1-yl]methanone
SMILESO=C(c1cccc(OCc2cn3ccccc3n2)c1)N1CCN(C(=O)C2CCC2)CC1
InChIInChI=1S/C24H26N4O3/c29-23(18-5-3-6-18)26-11-13-27(14-12-26)24(30)19-7-4-8-21(15-19)31-17-20-16-28-10-2-1-9-22(28)25-20/h1-2,4,7-10,15-16,18H,3,5-6,11-14,17H2
InChIKeyDSCWPQKHHAKKOP-UHFFFAOYSA-N
MW418.50 g/mol
LogP3.00
Rot. Bonds5

About cyclobutyl-[4-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoyl]piperazin-1-yl]methanone

cyclobutyl-[4-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoyl]piperazin-1-yl]methanone (PubChem CID 56512574) has the molecular formula C24H26N4O3 and a molecular weight of 418.50 g/mol. Its IUPAC name is cyclobutyl-[4-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclobutyl-[4-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoyl]piperazin-1-yl]methanone
PubChem CID56512574
Molecular FormulaC24H26N4O3
Molecular Weight418.50 g/mol
Exact Mass418.20
IUPAC Namecyclobutyl-[4-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoyl]piperazin-1-yl]methanone
SMILESO=C(c1cccc(OCc2cn3ccccc3n2)c1)N1CCN(C(=O)C2CCC2)CC1
InChIInChI=1S/C24H26N4O3/c29-23(18-5-3-6-18)26-11-13-27(14-12-26)24(30)19-7-4-8-21(15-19)31-17-20-16-28-10-2-1-9-22(28)25-20/h1-2,4,7-10,15-16,18H,3,5-6,11-14,17H2
InChIKeyDSCWPQKHHAKKOP-UHFFFAOYSA-N
XLogP3.00
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

cyclobutyl-[4-[3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzoyl]piperazin-1-yl]methanone
CID 56512391
N-cyclopropyl-2-[4-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoyl]piperazin-1-yl]acetamide
CID 55457840
[4-(3,4-dimethylphenoxy)piperidin-1-yl]-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]methanone
CID 55859064
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]methanone
CID 120659116
(2R)-1-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoyl]pyrrolidine-2-carboxylic acid
CID 119371541
[(3S)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]methanone
CID 124691184
[3-(1-aminoethyl)piperidin-1-yl]-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]methanone;dihydrochloride
CID 119594920
[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 56533058
[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]methanone
CID 86973942
3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoate
CID 7063876
[4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]methanone
CID 55866099
N-[2-[[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoyl]amino]phenyl]pyrrolidine-1-carboxamide
CID 55972840

Frequently Asked Questions

What is the IUPAC name of cyclobutyl-[4-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoyl]piperazin-1-yl]methanone?
The IUPAC name of cyclobutyl-[4-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoyl]piperazin-1-yl]methanone (CID 56512574) is cyclobutyl-[4-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoyl]piperazin-1-yl]methanone.
What is the SMILES notation for cyclobutyl-[4-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoyl]piperazin-1-yl]methanone?
The canonical SMILES for cyclobutyl-[4-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoyl]piperazin-1-yl]methanone is O=C(c1cccc(OCc2cn3ccccc3n2)c1)N1CCN(C(=O)C2CCC2)CC1.
What is the InChIKey of cyclobutyl-[4-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoyl]piperazin-1-yl]methanone?
The InChIKey is DSCWPQKHHAKKOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O3/c29-23(18-5-3-6-18)26-11-13-27(14-12-26)24(30)19-7-4-8-21(15-19)31-17-20-16-28-10-2-1-9-22(28)25-20/h1-2,4,7-10,15-16,18H,3,5-6,11-14,17H2.
What are the key properties of cyclobutyl-[4-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoyl]piperazin-1-yl]methanone?
cyclobutyl-[4-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoyl]piperazin-1-yl]methanone has a molecular weight of 418.50 g/mol, XLogP of 3.00, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-[4-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoyl]piperazin-1-yl]methanone is sourced from PubChem (CID 56512574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).