[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-pyridazin-4-ylmethanone

C29H25ClN6O — CID 121309759

IUPAC[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-pyridazin-4-ylmethanone
SMILESO=C(c1ccnnc1)N1CCN(Cc2c(-c3ccc(Cl)cc3)nc3ccc(-c4ccccc4)cn23)CC1
InChIInChI=1S/C29H25ClN6O/c30-25-9-6-22(7-10-25)28-26(36-19-24(8-11-27(36)33-28)21-4-2-1-3-5-21)20-34-14-16-35(17-15-34)29(37)23-12-13-31-32-18-23/h1-13,18-19H,14-17,20H2
InChIKeyAQJHOFSVSKTUQJ-UHFFFAOYSA-N
MW509.01 g/mol
LogP5.07
Rot. Bonds5

About [4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-pyridazin-4-ylmethanone

[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-pyridazin-4-ylmethanone (PubChem CID 121309759) has the molecular formula C29H25ClN6O and a molecular weight of 509.01 g/mol. Its IUPAC name is [4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-pyridazin-4-ylmethanone.

Molecular Properties

Compound Name[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-pyridazin-4-ylmethanone
PubChem CID121309759
Molecular FormulaC29H25ClN6O
Molecular Weight509.01 g/mol
Exact Mass508.18
IUPAC Name[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-pyridazin-4-ylmethanone
SMILESO=C(c1ccnnc1)N1CCN(Cc2c(-c3ccc(Cl)cc3)nc3ccc(-c4ccccc4)cn23)CC1
InChIInChI=1S/C29H25ClN6O/c30-25-9-6-22(7-10-25)28-26(36-19-24(8-11-27(36)33-28)21-4-2-1-3-5-21)20-34-14-16-35(17-15-34)29(37)23-12-13-31-32-18-23/h1-13,18-19H,14-17,20H2
InChIKeyAQJHOFSVSKTUQJ-UHFFFAOYSA-N
XLogP5.07
TPSA66.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.01
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 121309789
4-[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazine-1-carbonyl]benzonitrile
CID 121309937
[4-[(2,6-diphenylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-(4-fluorophenyl)methanone
CID 83290300
[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(2-methoxyphenyl)methanone
CID 121309682
[4-[[2-(4-chlorophenyl)-6-(1,2,4-oxadiazol-3-yl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-pyridin-4-ylmethanone
CID 121309825
[4-[(2,6-diphenylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-(3-nitrophenyl)methanone
CID 83290005
[4-[[2-(4-chlorophenyl)-6-(3-ethoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 91635942
2-[2-(4-chlorophenyl)-3-[[4-(pyrazine-2-carbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]benzonitrile
CID 121309767
1-[1-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperidin-4-yl]-2-methoxyethanone
CID 121309686
1-[4-[[2-(4-chlorophenyl)-6-(3-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-2-methylpropan-1-one
CID 83286724
[4-[[2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyrazin-3-yl]methyl]piperazin-1-yl]-pyridin-4-ylmethanone
CID 121309812
[4-[[6-(4-chloro-2-methylphenyl)-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(3-fluorophenyl)methanone
CID 83276239

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]-pyridazin-4-ylmethanone?
The IUPAC name of [4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-pyridazin-4-ylmethanone (CID 121309759) is [4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-pyridazin-4-ylmethanone.
What is the SMILES notation for [4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-pyridazin-4-ylmethanone?
The canonical SMILES for [4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-pyridazin-4-ylmethanone is O=C(c1ccnnc1)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]-pyridazin-4-ylmethanone?
The InChIKey is AQJHOFSVSKTUQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25ClN6O/c30-25-9-6-22(7-10-25)28-26(36-19-24(8-11-27(36)33-28)21-4-2-1-3-5-21)20-34-14-16-35(17-15-34)29(37)23-12-13-31-32-18-23/h1-13,18-19H,14-17,20H2.
What are the key properties of [4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-pyridazin-4-ylmethanone?
[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-pyridazin-4-ylmethanone has a molecular weight of 509.01 g/mol, XLogP of 5.07, 5 rotatable bonds, 0 hydrogen bond donors, and 6 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]-pyridazin-4-ylmethanone is sourced from PubChem (CID 121309759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).