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

C26H25ClN6O — CID 121309812

IUPAC[4-[[2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyrazin-3-yl]methyl]piperazin-1-yl]-pyridin-4-ylmethanone
SMILESO=C(c1ccncc1)N1CCN(Cc2c(-c3ccc(Cl)cc3)nc3cnc(C4CC4)cn23)CC1
InChIInChI=1S/C26H25ClN6O/c27-21-5-3-19(4-6-21)25-23(33-16-22(18-1-2-18)29-15-24(33)30-25)17-31-11-13-32(14-12-31)26(34)20-7-9-28-10-8-20/h3-10,15-16,18H,1-2,11-14,17H2
InChIKeyXSUQLXXEMXFUDK-UHFFFAOYSA-N
MW472.98 g/mol
LogP4.28
Rot. Bonds5

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

[4-[[2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyrazin-3-yl]methyl]piperazin-1-yl]-pyridin-4-ylmethanone (PubChem CID 121309812) has the molecular formula C26H25ClN6O and a molecular weight of 472.98 g/mol. Its IUPAC name is [4-[[2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyrazin-3-yl]methyl]piperazin-1-yl]-pyridin-4-ylmethanone.

Molecular Properties

Compound Name[4-[[2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyrazin-3-yl]methyl]piperazin-1-yl]-pyridin-4-ylmethanone
PubChem CID121309812
Molecular FormulaC26H25ClN6O
Molecular Weight472.98 g/mol
Exact Mass472.18
IUPAC Name[4-[[2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyrazin-3-yl]methyl]piperazin-1-yl]-pyridin-4-ylmethanone
SMILESO=C(c1ccncc1)N1CCN(Cc2c(-c3ccc(Cl)cc3)nc3cnc(C4CC4)cn23)CC1
InChIInChI=1S/C26H25ClN6O/c27-21-5-3-19(4-6-21)25-23(33-16-22(18-1-2-18)29-15-24(33)30-25)17-31-11-13-32(14-12-31)26(34)20-7-9-28-10-8-20/h3-10,15-16,18H,1-2,11-14,17H2
InChIKeyXSUQLXXEMXFUDK-UHFFFAOYSA-N
XLogP4.28
TPSA66.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.98
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[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-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-pyridazin-4-ylmethanone
CID 121309759
[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 121309789
2-[2-(4-chlorophenyl)-3-[[4-(pyrazine-2-carbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]benzonitrile
CID 121309767
4-[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazine-1-carbonyl]benzonitrile
CID 121309937
[4-[[2-(4-chlorophenyl)-6-(3-ethoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 91635942
[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
[4-[[6-cyclopropyl-2-(2,4-dichlorophenyl)imidazo[1,2-a]pyrazin-3-yl]methyl]piperazin-1-yl]-methyl-methylidene-oxo-λ6-sulfane
CID 144748044
1-[[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperidine-4-carboxylic acid
CID 2757434
[4-[[2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-pyridin-4-ylmethanone;2-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methylamino]-N,N-dimethylacetamide;7-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;1-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperidin-4-amine
CID 161494496
4-[[6-cyclopropyl-2-(2,4-dichlorophenyl)imidazo[1,2-a]pyrazin-3-yl]methyl]piperazin-2-one
CID 121309818
[4-[(2,6-diphenylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-(4-fluorophenyl)methanone
CID 83290300

Frequently Asked Questions

What is the IUPAC name of [4-[[2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyrazin-3-yl]methyl]piperazin-1-yl]-pyridin-4-ylmethanone?
The IUPAC name of [4-[[2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyrazin-3-yl]methyl]piperazin-1-yl]-pyridin-4-ylmethanone (CID 121309812) is [4-[[2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyrazin-3-yl]methyl]piperazin-1-yl]-pyridin-4-ylmethanone.
What is the SMILES notation for [4-[[2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyrazin-3-yl]methyl]piperazin-1-yl]-pyridin-4-ylmethanone?
The canonical SMILES for [4-[[2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyrazin-3-yl]methyl]piperazin-1-yl]-pyridin-4-ylmethanone is O=C(c1ccncc1)N1CCN(Cc2c(-c3ccc(Cl)cc3)nc3cnc(C4CC4)cn23)CC1.
What is the InChIKey of [4-[[2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyrazin-3-yl]methyl]piperazin-1-yl]-pyridin-4-ylmethanone?
The InChIKey is XSUQLXXEMXFUDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25ClN6O/c27-21-5-3-19(4-6-21)25-23(33-16-22(18-1-2-18)29-15-24(33)30-25)17-31-11-13-32(14-12-31)26(34)20-7-9-28-10-8-20/h3-10,15-16,18H,1-2,11-14,17H2.
What are the key properties of [4-[[2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyrazin-3-yl]methyl]piperazin-1-yl]-pyridin-4-ylmethanone?
[4-[[2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyrazin-3-yl]methyl]piperazin-1-yl]-pyridin-4-ylmethanone has a molecular weight of 472.98 g/mol, XLogP of 4.28, 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-cyclopropylimidazo[1,2-a]pyrazin-3-yl]methyl]piperazin-1-yl]-pyridin-4-ylmethanone is sourced from PubChem (CID 121309812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).