[4-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(6-cyclobutyloxy-2-pyridinyl)methanone

C28H28ClN5O2 — CID 129225976

IUPAC[4-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(6-cyclobutyloxy-2-pyridinyl)methanone
SMILESO=C(c1cccc(OC2CCC2)n1)N1CCN(Cc2c(-c3ccc(Cl)cc3)nc3ccccn23)CC1
InChIInChI=1S/C28H28ClN5O2/c29-21-12-10-20(11-13-21)27-24(34-14-2-1-8-25(34)31-27)19-32-15-17-33(18-16-32)28(35)23-7-4-9-26(30-23)36-22-5-3-6-22/h1-2,4,7-14,22H,3,5-6,15-19H2
InChIKeyFBZDKJRQNVTBKC-UHFFFAOYSA-N
MW502.02 g/mol
LogP4.94
Rot. Bonds6

About [4-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(6-cyclobutyloxy-2-pyridinyl)methanone

[4-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(6-cyclobutyloxy-2-pyridinyl)methanone (PubChem CID 129225976) has the molecular formula C28H28ClN5O2 and a molecular weight of 502.02 g/mol. Its IUPAC name is [4-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(6-cyclobutyloxy-2-pyridinyl)methanone.

Molecular Properties

Compound Name[4-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(6-cyclobutyloxy-2-pyridinyl)methanone
PubChem CID129225976
Molecular FormulaC28H28ClN5O2
Molecular Weight502.02 g/mol
Exact Mass501.19
IUPAC Name[4-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(6-cyclobutyloxy-2-pyridinyl)methanone
SMILESO=C(c1cccc(OC2CCC2)n1)N1CCN(Cc2c(-c3ccc(Cl)cc3)nc3ccccn23)CC1
InChIInChI=1S/C28H28ClN5O2/c29-21-12-10-20(11-13-21)27-24(34-14-2-1-8-25(34)31-27)19-32-15-17-33(18-16-32)28(35)23-7-4-9-26(30-23)36-22-5-3-6-22/h1-2,4,7-14,22H,3,5-6,15-19H2
InChIKeyFBZDKJRQNVTBKC-UHFFFAOYSA-N
XLogP4.94
TPSA62.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.02
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(6-cyclobutyloxy-2-pyridinyl)methanone?
The IUPAC name of [4-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(6-cyclobutyloxy-2-pyridinyl)methanone (CID 129225976) is [4-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(6-cyclobutyloxy-2-pyridinyl)methanone.
What is the SMILES notation for [4-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(6-cyclobutyloxy-2-pyridinyl)methanone?
The canonical SMILES for [4-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(6-cyclobutyloxy-2-pyridinyl)methanone is O=C(c1cccc(OC2CCC2)n1)N1CCN(Cc2c(-c3ccc(Cl)cc3)nc3ccccn23)CC1.
What is the InChIKey of [4-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(6-cyclobutyloxy-2-pyridinyl)methanone?
The InChIKey is FBZDKJRQNVTBKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28ClN5O2/c29-21-12-10-20(11-13-21)27-24(34-14-2-1-8-25(34)31-27)19-32-15-17-33(18-16-32)28(35)23-7-4-9-26(30-23)36-22-5-3-6-22/h1-2,4,7-14,22H,3,5-6,15-19H2.
What are the key properties of [4-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(6-cyclobutyloxy-2-pyridinyl)methanone?
[4-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(6-cyclobutyloxy-2-pyridinyl)methanone has a molecular weight of 502.02 g/mol, XLogP of 4.94, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(6-cyclobutyloxy-2-pyridinyl)methanone is sourced from PubChem (CID 129225976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).