[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(1H-imidazol-5-yl)methanone

C28H25ClN6O — CID 121309783

IUPAC[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(1H-imidazol-5-yl)methanone
SMILESO=C(c1cnc[nH]1)N1CCN(Cc2c(-c3ccc(Cl)cc3)nc3ccc(-c4ccccc4)cn23)CC1
InChIInChI=1S/C28H25ClN6O/c29-23-9-6-21(7-10-23)27-25(18-33-12-14-34(15-13-33)28(36)24-16-30-19-31-24)35-17-22(8-11-26(35)32-27)20-4-2-1-3-5-20/h1-11,16-17,19H,12-15,18H2,(H,30,31)
InChIKeyUIJBPPJEAFMEEB-UHFFFAOYSA-N
MW497.00 g/mol
LogP5.00
Rot. Bonds5

About [4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(1H-imidazol-5-yl)methanone

[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(1H-imidazol-5-yl)methanone (PubChem CID 121309783) has the molecular formula C28H25ClN6O and a molecular weight of 497.00 g/mol. Its IUPAC name is [4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(1H-imidazol-5-yl)methanone.

Molecular Properties

Compound Name[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(1H-imidazol-5-yl)methanone
PubChem CID121309783
Molecular FormulaC28H25ClN6O
Molecular Weight497.00 g/mol
Exact Mass496.18
IUPAC Name[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(1H-imidazol-5-yl)methanone
SMILESO=C(c1cnc[nH]1)N1CCN(Cc2c(-c3ccc(Cl)cc3)nc3ccc(-c4ccccc4)cn23)CC1
InChIInChI=1S/C28H25ClN6O/c29-23-9-6-21(7-10-23)27-25(18-33-12-14-34(15-13-33)28(36)24-16-30-19-31-24)35-17-22(8-11-26(35)32-27)20-4-2-1-3-5-20/h1-11,16-17,19H,12-15,18H2,(H,30,31)
InChIKeyUIJBPPJEAFMEEB-UHFFFAOYSA-N
XLogP5.00
TPSA69.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.00
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(1H-imidazol-5-yl)methanone?
The IUPAC name of [4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(1H-imidazol-5-yl)methanone (CID 121309783) is [4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(1H-imidazol-5-yl)methanone.
What is the SMILES notation for [4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(1H-imidazol-5-yl)methanone?
The canonical SMILES for [4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(1H-imidazol-5-yl)methanone is O=C(c1cnc[nH]1)N1CCN(Cc2c(-c3ccc(Cl)cc3)nc3ccc(-c4ccccc4)cn23)CC1.
What is the InChIKey of [4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(1H-imidazol-5-yl)methanone?
The InChIKey is UIJBPPJEAFMEEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25ClN6O/c29-23-9-6-21(7-10-23)27-25(18-33-12-14-34(15-13-33)28(36)24-16-30-19-31-24)35-17-22(8-11-26(35)32-27)20-4-2-1-3-5-20/h1-11,16-17,19H,12-15,18H2,(H,30,31).
What are the key properties of [4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(1H-imidazol-5-yl)methanone?
[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(1H-imidazol-5-yl)methanone has a molecular weight of 497.00 g/mol, XLogP of 5.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(1H-imidazol-5-yl)methanone is sourced from PubChem (CID 121309783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).