[4-(2-tert-butylimidazo[1,2-a]pyridin-6-yl)piperazin-1-yl]-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone

C23H29N5O2 — CID 171334763

IUPAC[4-(2-tert-butylimidazo[1,2-a]pyridin-6-yl)piperazin-1-yl]-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone
SMILESCC(C)(C)c1cn2cc(N3CCN(C(=O)c4noc5c4CCCC5)CC3)ccc2n1
InChIInChI=1S/C23H29N5O2/c1-23(2,3)19-15-28-14-16(8-9-20(28)24-19)26-10-12-27(13-11-26)22(29)21-17-6-4-5-7-18(17)30-25-21/h8-9,14-15H,4-7,10-13H2,1-3H3
InChIKeyUAPBIUSCSMXMIR-UHFFFAOYSA-N
MW407.52 g/mol
LogP3.46
Rot. Bonds2

About [4-(2-tert-butylimidazo[1,2-a]pyridin-6-yl)piperazin-1-yl]-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone

[4-(2-tert-butylimidazo[1,2-a]pyridin-6-yl)piperazin-1-yl]-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone (PubChem CID 171334763) has the molecular formula C23H29N5O2 and a molecular weight of 407.52 g/mol. Its IUPAC name is [4-(2-tert-butylimidazo[1,2-a]pyridin-6-yl)piperazin-1-yl]-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone.

Molecular Properties

Compound Name[4-(2-tert-butylimidazo[1,2-a]pyridin-6-yl)piperazin-1-yl]-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone
PubChem CID171334763
Molecular FormulaC23H29N5O2
Molecular Weight407.52 g/mol
Exact Mass407.23
IUPAC Name[4-(2-tert-butylimidazo[1,2-a]pyridin-6-yl)piperazin-1-yl]-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone
SMILESCC(C)(C)c1cn2cc(N3CCN(C(=O)c4noc5c4CCCC5)CC3)ccc2n1
InChIInChI=1S/C23H29N5O2/c1-23(2,3)19-15-28-14-16(8-9-20(28)24-19)26-10-12-27(13-11-26)22(29)21-17-6-4-5-7-18(17)30-25-21/h8-9,14-15H,4-7,10-13H2,1-3H3
InChIKeyUAPBIUSCSMXMIR-UHFFFAOYSA-N
XLogP3.46
TPSA66.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.52
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[4-[6-(azepan-1-yl)pyridazin-3-yl]piperazin-1-yl]-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone
CID 122335027
[4-[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]piperazin-1-yl]-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone
CID 122348469
[4-(2-fluorophenyl)piperazin-1-yl]-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazol-3-yl)methanone
CID 20923855
[4-[4-(dimethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone
CID 122332871
3-[[4-(2-tert-butylimidazo[1,2-a]pyridin-6-yl)piperazin-1-yl]methyl]-5-methyl-1,2,4-oxadiazole
CID 171690565
[4-[4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]piperazin-1-yl]-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone
CID 122333864
[4-[6-(diethylamino)pyridazin-3-yl]piperazin-1-yl]-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone
CID 122335601
4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
CID 163346701
2-tert-butyl-6-[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]imidazo[1,2-a]pyridine
CID 171334597
(4-benzhydrylpiperazin-1-yl)-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazol-3-yl)methanone
CID 3239471
2-tert-butyl-6-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]imidazo[1,2-a]pyridine
CID 171690566
[4-(6-imidazol-1-ylpyrimidin-4-yl)piperazin-1-yl]-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone
CID 122338328

Frequently Asked Questions

What is the IUPAC name of [4-(2-tert-butylimidazo[1,2-a]pyridin-6-yl)piperazin-1-yl]-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone?
The IUPAC name of [4-(2-tert-butylimidazo[1,2-a]pyridin-6-yl)piperazin-1-yl]-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone (CID 171334763) is [4-(2-tert-butylimidazo[1,2-a]pyridin-6-yl)piperazin-1-yl]-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone.
What is the SMILES notation for [4-(2-tert-butylimidazo[1,2-a]pyridin-6-yl)piperazin-1-yl]-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone?
The canonical SMILES for [4-(2-tert-butylimidazo[1,2-a]pyridin-6-yl)piperazin-1-yl]-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone is CC(C)(C)c1cn2cc(N3CCN(C(=O)c4noc5c4CCCC5)CC3)ccc2n1.
What is the InChIKey of [4-(2-tert-butylimidazo[1,2-a]pyridin-6-yl)piperazin-1-yl]-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone?
The InChIKey is UAPBIUSCSMXMIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O2/c1-23(2,3)19-15-28-14-16(8-9-20(28)24-19)26-10-12-27(13-11-26)22(29)21-17-6-4-5-7-18(17)30-25-21/h8-9,14-15H,4-7,10-13H2,1-3H3.
What are the key properties of [4-(2-tert-butylimidazo[1,2-a]pyridin-6-yl)piperazin-1-yl]-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone?
[4-(2-tert-butylimidazo[1,2-a]pyridin-6-yl)piperazin-1-yl]-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone has a molecular weight of 407.52 g/mol, XLogP of 3.46, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-tert-butylimidazo[1,2-a]pyridin-6-yl)piperazin-1-yl]-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone is sourced from PubChem (CID 171334763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).