(4-tert-butylphenyl)-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]methanone

C23H28N4O — CID 134056660

IUPAC(4-tert-butylphenyl)-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]methanone
SMILESCC(C)(C)c1ccc(C(=O)N2CCN(Cc3cn4ccccc4n3)CC2)cc1
InChIInChI=1S/C23H28N4O/c1-23(2,3)19-9-7-18(8-10-19)22(28)26-14-12-25(13-15-26)16-20-17-27-11-5-4-6-21(27)24-20/h4-11,17H,12-16H2,1-3H3
InChIKeyINJGWRSZMXDHQU-UHFFFAOYSA-N
MW376.50 g/mol
LogP3.59
Rot. Bonds3

About (4-tert-butylphenyl)-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]methanone

(4-tert-butylphenyl)-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]methanone (PubChem CID 134056660) has the molecular formula C23H28N4O and a molecular weight of 376.50 g/mol. Its IUPAC name is (4-tert-butylphenyl)-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-tert-butylphenyl)-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]methanone
PubChem CID134056660
Molecular FormulaC23H28N4O
Molecular Weight376.50 g/mol
Exact Mass376.23
IUPAC Name(4-tert-butylphenyl)-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]methanone
SMILESCC(C)(C)c1ccc(C(=O)N2CCN(Cc3cn4ccccc4n3)CC2)cc1
InChIInChI=1S/C23H28N4O/c1-23(2,3)19-9-7-18(8-10-19)22(28)26-14-12-25(13-15-26)16-20-17-27-11-5-4-6-21(27)24-20/h4-11,17H,12-16H2,1-3H3
InChIKeyINJGWRSZMXDHQU-UHFFFAOYSA-N
XLogP3.59
TPSA40.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-1-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-2-methylpropan-1-one;dihydrochloride
CID 119837375
[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-(4-methyl-3-piperidin-1-ylsulfonylphenyl)methanone
CID 134056718
(4-fluorophenyl)-[2-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazine-1-carbonyl]phenyl]methanone
CID 47022126
3-amino-1-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-2-methylbutan-1-one
CID 120502657
2-ethoxy-1-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]propan-1-one
CID 51080863
(2S)-2-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 92764804
(1-aminocyclopropyl)-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]methanone;dihydrochloride
CID 119837365
1-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 71944000
1-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-4-(methylamino)butan-1-one
CID 119837382
[4-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone
CID 17401303
1-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-4-(methylamino)butan-1-one;dihydrochloride
CID 119837381
ethyl 2-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]acetate
CID 134031725

Frequently Asked Questions

What is the IUPAC name of (4-tert-butylphenyl)-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]methanone?
The IUPAC name of (4-tert-butylphenyl)-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]methanone (CID 134056660) is (4-tert-butylphenyl)-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]methanone.
What is the SMILES notation for (4-tert-butylphenyl)-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]methanone?
The canonical SMILES for (4-tert-butylphenyl)-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]methanone is CC(C)(C)c1ccc(C(=O)N2CCN(Cc3cn4ccccc4n3)CC2)cc1.
What is the InChIKey of (4-tert-butylphenyl)-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]methanone?
The InChIKey is INJGWRSZMXDHQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O/c1-23(2,3)19-9-7-18(8-10-19)22(28)26-14-12-25(13-15-26)16-20-17-27-11-5-4-6-21(27)24-20/h4-11,17H,12-16H2,1-3H3.
What are the key properties of (4-tert-butylphenyl)-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]methanone?
(4-tert-butylphenyl)-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]methanone has a molecular weight of 376.50 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylphenyl)-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 134056660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).